3-(4-methylpyridin-2-yl)-2-(3-nitropyridin-2-yl)sulfanyl-1H-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-(3-nitropyridin-2-yl)sulfanyl-1H-quinazolin-3-ium-4-one Openeye Name: 3-(4-methyl-2-pyridyl)-2-[(3-nitro-2-pyridyl)sulfanyl]-1H-quinazolin-3-ium-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-[(3-nitro-2-pyridinyl)thio]-1H-quinazolin-3-ium-4-one IUPAC Name: 3-(4-methylpyridin-2-yl)-2-(3-nitropyridin-2-yl)sulfanyl-1H-quinazolin-3-ium-4-one Traditional Name: 3-(4-methyl-2-pyridyl)-2-[(3-nitro-2-pyridyl)thio]-1H-quinazolin-3-ium-4-one Formula: C19H14N5O3S+ MolecularWeight: 392.41116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O3S/c1-12-8-10-20-16(11-12)23-18(25)13-5-2-3-6-14(13)22-19(23)28-17-15(24(26)27)7-4-9-21-17/h2-11H,1H3/p+1