1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetone Formula: C17H15N3OS MolecularWeight: 309.3855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3OS/c1-13(21)12-22-17-19-18-16(14-8-4-2-5-9-14)20(17)15-10-6-3-7-11-15/h2-11H,12H2,1H3