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

Systemtic Name: 1-(3-chlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3-chlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3-chlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3-chlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3-chlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C17H14ClN3OS MolecularWeight: 343.83056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3OS/c1-12(16(22)13-6-5-7-14(18)10-13)23-17-20-19-11-21(17)15-8-3-2-4-9-15/h2-12H,1H3