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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-chlorophenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C24H20ClN3OS MolecularWeight: 433.9531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20ClN3OS/c25-20-12-14-21(15-13-20)28-23(16-11-18-7-3-1-4-8-18)26-27-24(28)30-17-22(29)19-9-5-2-6-10-19/h1-10,12-15H,11,16-17H2