2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C19H15N3O3S/c20-7-8-22-18(21-15-4-2-1-3-14(15)19(22)23)12-26-13-5-6-16-17(11-13)25-10-9-24-16/h1-6,11H,8-10,12H2