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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C19H18ClN3OS MolecularWeight: 371.88372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3OS/c1-23-18(15-9-11-16(20)12-10-15)21-22-19(23)25-13-5-8-17(24)14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3