4-(2-methoxyphenyl)-3-[(2-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methoxyphenyl)-3-[(2-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-methoxyphenyl)-3-[(2-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methoxyphenyl)-3-[[(2-nitrophenyl)thio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methoxyphenyl)-3-[(2-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-methoxyphenyl)-3-[[(2-nitrophenyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C16H14N4O3S2 MolecularWeight: 374.43736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S2/c1-23-13-8-4-2-6-11(13)19-15(17-18-16(19)24)10-25-14-9-5-3-7-12(14)20(21)22/h2-9H,10H2,1H3,(H,18,24)