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

Systemtic Name: N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chlorophenyl)-2-[[5-(1-pyrrolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[(5-pyrrol-1-yl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H12ClN5OS MolecularWeight: 333.79598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H12ClN5OS/c15-10-3-5-11(6-4-10)16-12(21)9-22-14-17-13(18-19-14)20-7-1-2-8-20/h1-8H,9H2,(H,16,21)(H,17,18,19)