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

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H13ClN4OS/c17-12-5-4-8-14(9-12)21-11-18-20-16(21)23-10-15(22)19-13-6-2-1-3-7-13/h1-9,11H,10H2,(H,19,22)