2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N)OC1

InChI

InChI=1S/C20H17N3O3S/c21-8-9-23-19(22-16-5-2-1-4-15(16)20(23)24)13-27-14-6-7-17-18(12-14)26-11-3-10-25-17/h1-2,4-7,12H,3,9-11,13H2