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2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one
SpectraBase Compound ID BafoU4J9hEN
InChI InChI=1S/C30H29N5OS/c1-21-12-8-11-19-26(21)35-27(31-25-18-10-9-17-24(25)29(35)36)20-37-30-33-32-28(22-13-4-2-5-14-22)34(30)23-15-6-3-7-16-23/h2,4-5,8-14,17-19,23H,3,6-7,15-16,20H2,1H3
InChIKey MSECPBKYDUIFMW-UHFFFAOYSA-N
Mol Weight 507.66 g/mol
Molecular Formula C30H29N5OS
Exact Mass 507.209282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IElsyvJt1ab
Name 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one
Alternate Name(s) 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(o-tolyl)quinazolin-4-one 2-[[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(2-methylphenyl)-4-quinazolinone 2-[[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(o-tolyl)quinazolin-4-one
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Formula C30H29N5OS
InChI InChI=1S/C30H29N5OS/c1-21-12-8-11-19-26(21)35-27(31-25-18-10-9-17-24(25)29(35)36)20-37-30-33-32-28(22-13-4-2-5-14-22)34(30)23-15-6-3-7-16-23/h2,4-5,8-14,17-19,23H,3,6-7,15-16,20H2,1H3
InChIKey MSECPBKYDUIFMW-UHFFFAOYSA-N
Molecular Weight 507.656 g/mol
SMILES C1CCC([n]2c(SCC=3N(C(c4ccccc4N3)=O)c3c(C)cccc3)nnc2-c2ccccc2)CC1
SPLASH splash10-057r-2590000000-61aced9c91f075efd7ab
Wiley ID 1455155