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

Systemtic Name: 5-nitro-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoline Openeye Name: 5-nitro-8-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]quinoline CAS Name: 5-nitro-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]quinoline IUPAC Name: 5-nitro-8-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinoline Traditional Name: 5-nitro-8-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]quinoline Formula: C22H14N6O2S MolecularWeight: 426.45056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)C5=CC=NC=C5

InChI

InChI=1S/C22H14N6O2S/c29-28(30)18-8-9-19(20-17(18)7-4-12-24-20)31-22-26-25-21(15-10-13-23-14-11-15)27(22)16-5-2-1-3-6-16/h1-14H