2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetonitrile Formula: C14H14ClN3OS MolecularWeight: 307.79846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC#N

InChI

InChI=1S/C14H14ClN3OS/c1-9(2)8-18-13(19)11-7-10(15)3-4-12(11)17-14(18)20-6-5-16/h3-4,7,9H,6,8H2,1-2H3