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

Systemtic Name: 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-chlorophenyl)acetamide Formula: C16H13Cl2N5OS MolecularWeight: 394.27832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Cl)Cl

InChI

InChI=1S/C16H13Cl2N5OS/c17-10-4-3-5-11(8-10)20-14(24)9-25-16-22-21-15(23(16)19)12-6-1-2-7-13(12)18/h1-8H,9,19H2,(H,20,24)