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

Systemtic Name: 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

InChI

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