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

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(4-chlorobenzyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5OS/c22-17-10-8-16(9-11-17)14-19-24-25-21(27(19)26-12-4-5-13-26)29-15-20(28)23-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,28)