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

Systemtic Name: 4-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N3OS/c22-13-15-9-11-16(12-10-15)14-26-21-23-19-8-4-3-7-18(19)20(25)24(21)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,14H2