3-methyl-2-(2-nitro-4-pyridin-4-ylcarbonyl-phenyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-methyl-2-(2-nitro-4-pyridin-4-ylcarbonyl-phenyl)sulfanyl-quinazolin-4-one Openeye Name: 3-methyl-2-[2-nitro-4-(pyridine-4-carbonyl)phenyl]sulfanyl-quinazolin-4-one CAS Name: 3-methyl-2-[[2-nitro-4-[oxo(pyridin-4-yl)methyl]phenyl]thio]-4-quinazolinone IUPAC Name: 3-methyl-2-[2-nitro-4-(pyridine-4-carbonyl)phenyl]sulfanylquinazolin-4-one Traditional Name: 2-[(4-isonicotinoyl-2-nitro-phenyl)thio]-3-methyl-quinazolin-4-one Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C(=O)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C(=O)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O4S/c1-24-20(27)15-4-2-3-5-16(15)23-21(24)30-18-7-6-14(12-17(18)25(28)29)19(26)13-8-10-22-11-9-13/h2-12H,1H3