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

Systemtic Name: 8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-quinoline Openeye Name: 8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-quinoline CAS Name: 8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5-nitroquinoline IUPAC Name: 8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline Traditional Name: 8-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-5-nitro-quinoline Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H13N5O2S/c1-22-17(12-6-3-2-4-7-12)20-21-18(22)26-15-10-9-14(23(24)25)13-8-5-11-19-16(13)15/h2-11H,1H3