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

Systemtic Name: 4-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC#N

InChI

InChI=1S/C18H22ClN3O2S/c1-13(2)24-10-5-9-22-17(23)15-7-6-14(19)12-16(15)21-18(22)25-11-4-3-8-20/h6-7,12-13H,3-5,9-11H2,1-2H3