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

Systemtic Name: 4-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]butyronitrile Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC#N

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC#N

InChI

InChI=1S/C16H18ClN3O2S/c1-22-9-4-8-20-15(21)13-6-5-12(17)11-14(13)19-16(20)23-10-3-2-7-18/h5-6,11H,2-4,8-10H2,1H3