5-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C16H14N4O2S MolecularWeight: 326.37296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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