8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,7-dinitro-quinoline

Systemtic Name: 8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,7-dinitro-quinoline Openeye Name: 8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,7-dinitro-quinoline CAS Name: 8-[(4-methyl-1,2,4-triazol-3-yl)thio]-5,7-dinitroquinoline IUPAC Name: 8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,7-dinitroquinoline Traditional Name: 8-[(4-methyl-1,2,4-triazol-3-yl)thio]-5,7-dinitro-quinoline Formula: C12H8N6O4S MolecularWeight: 332.29472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8N6O4S/c1-16-6-14-15-12(16)23-11-9(18(21)22)5-8(17(19)20)7-3-2-4-13-10(7)11/h2-6H,1H3