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Acetamide, N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-[[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-

View entire compound with spectra: 1 MS (GC)

Acetamide, N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-[[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 1hCnIQv3TEg
InChI InChI=1S/C31H30FN5O5S/c1-37-30(18-6-8-21(32)9-7-18)35-36-31(37)43-17-29(38)34-23-16-28(42-5)26(40-3)14-20(23)12-24-22-15-27(41-4)25(39-2)13-19(22)10-11-33-24/h6-11,13-16H,12,17H2,1-5H3,(H,34,38)
InChIKey NNGLLZVVIDEGKM-UHFFFAOYSA-N
Mol Weight 603.67 g/mol
Molecular Formula C31H30FN5O5S
Exact Mass 603.195168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENiWMtU75Z1
Name Acetamide, N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-[[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-
Alternate Name(s) N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
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Formula C31H30FN5O5S
InChI InChI=1S/C31H30FN5O5S/c1-37-30(18-6-8-21(32)9-7-18)35-36-31(37)43-17-29(38)34-23-16-28(42-5)26(40-3)14-20(23)12-24-22-15-27(41-4)25(39-2)13-19(22)10-11-33-24/h6-11,13-16H,12,17H2,1-5H3,(H,34,38)
InChIKey NNGLLZVVIDEGKM-UHFFFAOYSA-N
Molecular Weight 603.669 g/mol
SMILES N(c1c(Cc2c3cc(OC)c(cc3ccn2)OC)cc(c(c1)OC)OC)C(CSc1[n](c(nn1)-c1ccc(cc1)F)C)=O
SPLASH splash10-001i-0449000000-0e3c97b21dbd0fc00d9f
Source of Spectrum IY-2-5039-7
Wiley ID 1658380