(E)-3-azanyl-2-(2-quinazolin-4-ylsulfanylethanoyl)but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-(2-quinazolin-4-ylsulfanylethanoyl)but-2-enenitrile Openeye Name: (E)-3-amino-2-(2-quinazolin-4-ylsulfanylacetyl)but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(4-quinazolinylthio)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-(2-quinazolin-4-ylsulfanylacetyl)but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(quinazolin-4-ylthio)acetyl]but-2-enenitrile Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC=NC2=CC=CC=C21)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC=NC2=CC=CC=C21)/N

InChI

InChI=1S/C14H12N4OS/c1-9(16)11(6-15)13(19)7-20-14-10-4-2-3-5-12(10)17-8-18-14/h2-5,8H,7,16H2,1H3/b11-9+