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

Systemtic Name: 2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C18H15N3O2S/c1-2-23-14-9-7-13(8-10-14)21-17(22)15-5-3-4-6-16(15)20-18(21)24-12-11-19/h3-10H,2,12H2,1H3