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

Systemtic Name: N-(4-methylphenyl)-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[5-(phenylmethyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-17-9-11-19(12-10-17)23-21(28)16-29-22-25-24-20(15-18-7-3-2-4-8-18)27(22)26-13-5-6-14-26/h2-14H,15-16H2,1H3,(H,23,28)