3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(2-phenylpropyl)benzamide

Systemtic Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(2-phenylpropyl)benzamide Openeye Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2-phenylpropyl)benzamide CAS Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-(2-phenylpropyl)benzamide IUPAC Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2-phenylpropyl)benzamide Traditional Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(2-phenylpropyl)benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-15(16-7-4-3-5-8-16)12-22-20(28)17-9-6-10-18(11-17)24-19(27)13-29-21-25-23-14-26(21)2/h3-11,14-15H,12-13H2,1-2H3,(H,22,28)(H,24,27)