3-methyl-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-methyl-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-methyl-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]-4-quinazolinone IUPAC Name: 3-methyl-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(5-keto-3-pyrazolin-3-yl)methylthio]-3-methyl-quinazolin-4-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)NN3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)NN3

InChI

InChI=1S/C13H12N4O2S/c1-17-12(19)9-4-2-3-5-10(9)14-13(17)20-7-8-6-11(18)16-15-8/h2-6H,7H2,1H3,(H2,15,16,18)