5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-8-nitro-isoquinoline

Systemtic Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-8-nitro-isoquinoline Openeye Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-8-nitro-isoquinoline CAS Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]-8-nitroisoquinoline IUPAC Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-8-nitroisoquinoline Traditional Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]-8-nitro-isoquinoline Formula: C12H9N5O2S MolecularWeight: 287.29716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c1-16-7-14-15-12(16)20-11-3-2-10(17(18)19)9-6-13-5-4-8(9)11/h2-7H,1H3