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

Systemtic Name: N-(2-methylphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(o-tolyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-methylphenyl)-2-[[5-propyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(o-tolyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C18H21N5OS/c1-3-8-16-20-21-18(23(16)22-11-6-7-12-22)25-13-17(24)19-15-10-5-4-9-14(15)2/h4-7,9-12H,3,8,13H2,1-2H3,(H,19,24)