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

Systemtic Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-8-nitro-quinoline Openeye Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-8-nitro-quinoline CAS Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-8-nitroquinoline IUPAC Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-8-nitroquinoline Traditional Name: 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-8-nitro-quinoline Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)SC2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O2S/c1-8-15-16-13(17(8)2)21-11-6-5-10(18(19)20)12-9(11)4-3-7-14-12/h3-7H,1-2H3