3-[[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(3-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-(3-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-keto-3-(3-methyl-2-pyridyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H16N4OS MolecularWeight: 384.45364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H16N4OS/c1-15-6-5-11-24-20(15)26-21(27)18-9-2-3-10-19(18)25-22(26)28-14-17-8-4-7-16(12-17)13-23/h2-12H,14H2,1H3