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

Systemtic Name: 1-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C20H20ClN3OS MolecularWeight: 385.9103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3OS/c1-20(2,3)17(25)13-26-19-23-22-18(14-7-5-4-6-8-14)24(19)16-11-9-15(21)10-12-16/h4-12H,13H2,1-3H3