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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[5-methyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N3C=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N3C=CC=C3)C

InChI

InChI=1S/C17H19N5OS/c1-13-5-7-15(8-6-13)11-18-16(23)12-24-17-20-19-14(2)22(17)21-9-3-4-10-21/h3-10H,11-12H2,1-2H3,(H,18,23)