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

Systemtic Name: (E)-3-azanyl-2-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]but-2-enenitrile Formula: C20H16N4O2S MolecularWeight: 376.43164

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2S/c1-13(22)16(11-21)18(25)12-27-20-23-17-10-6-5-9-15(17)19(26)24(20)14-7-3-2-4-8-14/h2-10H,12,22H2,1H3/b16-13+