N-(3-acetamido-4-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-acetamido-4-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3-acetamido-4-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3-acetamido-4-methoxyphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3-acetamido-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3-acetamido-4-methoxy-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H19N5O3S MolecularWeight: 397.45086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3S/c1-12(25)22-16-9-15(7-8-17(16)27-2)23-18(26)14-5-3-13(4-6-14)10-28-19-20-11-21-24-19/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,26)(H,20,21,24)