(E)-3-azanyl-2-[2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC)/N

InChI

InChI=1S/C22H20N4O4S/c1-13(24)16(11-23)18(27)12-31-22-25-17-7-5-4-6-15(17)21(28)26(22)14-8-9-19(29-2)20(10-14)30-3/h4-10H,12,24H2,1-3H3/b16-13+