N-(3-methylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(m-tolyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(m-tolyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4OS/c1-19-9-8-12-21(17-19)26-24(30)18-31-25-28-27-23(16-15-20-10-4-2-5-11-20)29(25)22-13-6-3-7-14-22/h2-14,17H,15-16,18H2,1H3,(H,26,30)