4-methyl-3-(4-nitrophenyl)sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-nitrophenyl)sulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-(4-nitrophenyl)sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenyl)thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-nitrophenyl)sulfanyl-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrophenyl)thio]-1,2,4-triazole Formula: C9H8N4O2S MolecularWeight: 236.25042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O2S/c1-12-6-10-11-9(12)16-8-4-2-7(3-5-8)13(14)15/h2-6H,1H3