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

Systemtic Name: (E)-3-azanyl-2-[2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O2S/c1-12(23)16(10-22)18(26)11-28-20-24-17-8-3-2-7-15(17)19(27)25(20)14-6-4-5-13(21)9-14/h2-9H,11,23H2,1H3/b16-12+