(E)-3-azanyl-2-[2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C22H20N4O3S/c1-13-8-9-20(29-3)18(10-13)26-21(28)15-6-4-5-7-17(15)25-22(26)30-12-19(27)16(11-23)14(2)24/h4-10H,12,24H2,1-3H3/b16-14+