4-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylbutanenitrile

Systemtic Name: 4-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylbutanenitrile Openeye Name: 4-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylbutanenitrile CAS Name: 4-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]butanenitrile IUPAC Name: 4-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]butyronitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C18H21N3OS/c19-12-6-7-13-23-18-20-16-11-5-4-10-15(16)17(22)21(18)14-8-2-1-3-9-14/h4-5,10-11,14H,1-3,6-9,13H2