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

Systemtic Name: 4-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[(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=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N)OC

InChI

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