2-[2-[(3-methoxyphenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(3-methoxyphenyl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(3-methoxyphenyl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(3-methoxyphenyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(3-methoxyphenyl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(3-methoxyphenyl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

COC1=CC(=CC=C1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C18H15N3O2S/c1-23-13-5-4-6-14(11-13)24-12-17-20-16-8-3-2-7-15(16)18(22)21(17)10-9-19/h2-8,11H,10,12H2,1H3