N-[(4-acetamidophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(4-acetamidophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(4-acetamidophenyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-acetamidobenzyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H19N5O2S MolecularWeight: 381.45146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C19H19N5O2S/c1-13(25)23-17-8-4-14(5-9-17)10-20-18(26)16-6-2-15(3-7-16)11-27-19-21-12-22-24-19/h2-9,12H,10-11H2,1H3,(H,20,26)(H,23,25)(H,21,22,24)