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

Systemtic Name: 2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-keto-3-(4-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=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

InChI

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