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

Systemtic Name: 3-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-methyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(3-methyl-4-oxo-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-keto-3-methyl-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H13N3OS/c1-20-16(21)14-7-2-3-8-15(14)19-17(20)22-11-13-6-4-5-12(9-13)10-18/h2-9H,11H2,1H3