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

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CCCO

InChI

InChI=1S/C13H13N3O2S/c14-6-9-19-13-15-11-5-2-1-4-10(11)12(18)16(13)7-3-8-17/h1-2,4-5,17H,3,7-9H2