4-methyl-3-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 4-methyl-3-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole Formula: C16H14N4O2S MolecularWeight: 326.37296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c1-19-15(13-7-9-14(10-8-13)20(21)22)17-18-16(19)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3