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N-[3-({2-[(2E)-2-Benzylidenehydrazino]-2-oxoethyl}-sulfanyl)-5-({2-[(benzoyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide
SpectraBase Compound ID JkR5zbIA5pe
InChI InChI=1S/C29H24N8O3S2/c38-25(34-30-17-20-10-4-1-5-11-20)19-42-29-35-33-24(37(29)36-27(40)22-14-8-3-9-15-22)16-23-18-41-28(31-23)32-26(39)21-12-6-2-7-13-21/h1-15,17-18H,16,19H2,(H,34,38)(H,36,40)(H,31,32,39)/b30-17+
InChIKey ANVTUJNDAMJQMR-OCSSWDANSA-N
Mol Weight 596.68 g/mol
Molecular Formula C29H24N8O3S2
Exact Mass 596.141279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dnwjhji3Ct
Name N-[3-({2-[(2E)-2-Benzylidenehydrazino]-2-oxoethyl}-sulfanyl)-5-({2-[(benzoyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide
Alternate Name(s) (E)-N-(4-((4-benzamido-5-((2-(2-benzylidenehydrazinyl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)thiazol-2-yl)benzamide N-[4-[[4-benzamido-5-[[2-oxo-2-[(2E)-2-(phenylmethylene)hydrazinyl]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-thiazolyl]benzamide N-[4-[[4-benzamido-5-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]benzamide N-[4-[[4-benzamido-5-[2-[(2E)-2-benzylidenehydrazino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiazol-2-yl]benzamide N-[4-[[4-benzamido-5-[2-oxidanylidene-2-[(2E)-2-(phenylmethylidene)hydrazinyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-yl]benzamide
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Formula C29H24N8O3S2
InChI InChI=1S/C29H24N8O3S2/c38-25(34-30-17-20-10-4-1-5-11-20)19-42-29-35-33-24(37(29)36-27(40)22-14-8-3-9-15-22)16-23-18-41-28(31-23)32-26(39)21-12-6-2-7-13-21/h1-15,17-18H,16,19H2,(H,34,38)(H,36,40)(H,31,32,39)/b30-17+
InChIKey ANVTUJNDAMJQMR-OCSSWDANSA-N
Molecular Weight 596.684 g/mol
SMILES N(\N=C\c1ccccc1)C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NC(=O)c2ccccc2)sc1)=O
SPLASH splash10-054k-2643690000-bb2ba598f0ea1639434f
Source of Spectrum EMC-42-814-8c
Wiley ID 1735101