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

Systemtic Name: 2-[3-(cyclopentylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(cyclopentylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(cyclopentylmethyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(cyclopentylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(cyclopentylmethyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1CCC(C1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C16H17N3OS/c17-9-10-21-16-18-14-8-4-3-7-13(14)15(20)19(16)11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,10-11H2