N-(4-methyl-3-nitro-pyridin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(4-methyl-3-nitro-pyridin-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(4-methyl-3-nitro-2-pyridyl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(4-methyl-3-nitro-2-pyridinyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(4-methyl-3-nitropyridin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(4-methyl-3-nitro-2-pyridyl)-1H-quinazoline-2-carbothioamide Formula: C15H11N5O3S MolecularWeight: 341.34454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O3S/c1-8-6-7-16-12(11(8)20(22)23)19-15(24)13-17-10-5-3-2-4-9(10)14(21)18-13/h2-7H,1H3,(H,16,19,24)(H,17,18,21)