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

Systemtic Name: N-(3-chlorophenyl)-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chlorophenyl)-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chlorophenyl)-2-[[5-phenyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chlorophenyl)-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chlorophenyl)-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c21-16-9-6-10-17(13-16)22-18(27)14-28-20-24-23-19(15-7-2-1-3-8-15)26(20)25-11-4-5-12-25/h1-13H,14H2,(H,22,27)