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

Systemtic Name: 2-[2-[[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]methyl]quinazolin-3-yl]acetonitrile Formula: C26H19N5O3S MolecularWeight: 481.52576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C26H19N5O3S/c1-34-22-13-7-6-12-21(22)31-25(33)18-9-3-5-11-20(18)29-26(31)35-16-23-28-19-10-4-2-8-17(19)24(32)30(23)15-14-27/h2-13H,15-16H2,1H3