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

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C16H12ClN3OS MolecularWeight: 329.80398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3OS/c17-13-7-4-8-14(9-13)20-11-18-19-16(20)22-10-15(21)12-5-2-1-3-6-12/h1-9,11H,10H2