4-[2-(oxan-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(oxan-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-3-yl]benzonitrile CAS Name: 4-[2-(2-oxanylmethylthio)-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-(oxan-2-ylmethylsulfanyl)-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-(tetrahydropyran-2-ylmethylthio)quinazolin-3-yl]benzonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N3O2S/c22-13-15-8-10-16(11-9-15)24-20(25)18-6-1-2-7-19(18)23-21(24)27-14-17-5-3-4-12-26-17/h1-2,6-11,17H,3-5,12,14H2