1-(4-methylphenyl)-5-(phenylmethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)-5-(phenylmethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-triazole-3-carboxamide Openeye Name: 5-benzyl-1-(p-tolyl)-N-[2-(2-thienyl)ethyl]-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-methylphenyl)-5-(phenylmethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 5-benzyl-1-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)-1,2,4-triazole-3-carboxamide Traditional Name: 5-benzyl-1-(p-tolyl)-N-[2-(2-thienyl)ethyl]-1,2,4-triazole-3-carboxamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NCCC3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NCCC3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-17-9-11-19(12-10-17)27-21(16-18-6-3-2-4-7-18)25-22(26-27)23(28)24-14-13-20-8-5-15-29-20/h2-12,15H,13-14,16H2,1H3,(H,24,28)