2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-keto-3-veratryl-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C25H21N3O3S/c1-30-22-12-11-17(13-23(22)31-2)15-28-24(29)20-9-5-6-10-21(20)27-25(28)32-16-19-8-4-3-7-18(19)14-26/h3-13H,15-16H2,1-2H3