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

Systemtic Name: 1-(4-nitrophenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C17H14N4O3S MolecularWeight: 354.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3S/c22-15(13-6-8-14(9-7-13)21(23)24)11-25-17-18-16(19-20-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19,20)