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

Systemtic Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]propionitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H19N3O3S/c1-13(11-21)27-20-22-16-7-5-4-6-15(16)19(24)23(20)12-14-8-9-17(25-2)18(10-14)26-3/h4-10,13H,12H2,1-3H3