4-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylbutanenitrile CAS Name: 4-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]butyronitrile Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC#N

InChI

InChI=1S/C17H20ClN3OS/c1-12(2)7-9-21-16(22)14-6-5-13(18)11-15(14)20-17(21)23-10-4-3-8-19/h5-6,11-12H,3-4,7,9-10H2,1-2H3