2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C16H19N3O2S/c1-12(2)21-10-5-9-19-15(20)13-6-3-4-7-14(13)18-16(19)22-11-8-17/h3-4,6-7,12H,5,9-11H2,1-2H3