1-(3-nitropyridin-2-yl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(3-nitropyridin-2-yl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[(3-nitro-2-pyridyl)sulfanyl]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(3-nitro-2-pyridinyl)thio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(3-nitropyridin-2-yl)sulfanyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[(3-nitro-2-pyridyl)thio]-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C20H12N6O3S MolecularWeight: 416.41268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SC5=C(C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SC5=C(C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C20H12N6O3S/c27-18-14-9-4-5-10-15(14)25-19(24(18)13-7-2-1-3-8-13)22-23-20(25)30-17-16(26(28)29)11-6-12-21-17/h1-12H