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

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H16ClN3OS MolecularWeight: 405.89994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H16ClN3OS/c23-18-11-7-10-17(14-18)21-24-25-22(26(21)19-12-5-2-6-13-19)28-15-20(27)16-8-3-1-4-9-16/h1-14H,15H2