2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C22H16N4O3S MolecularWeight: 416.45244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O3S/c27-20(16-11-13-19(14-12-16)26(28)29)15-30-22-24-23-21(17-7-3-1-4-8-17)25(22)18-9-5-2-6-10-18/h1-14H,15H2