(E)-3-azanyl-2-(2-quinolin-2-ylsulfanylethanoyl)but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-(2-quinolin-2-ylsulfanylethanoyl)but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2-quinolylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(2-quinolinylthio)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-(2-quinolin-2-ylsulfanylacetyl)but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2-quinolylthio)acetyl]but-2-enenitrile Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2C=C1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2C=C1)/N

InChI

InChI=1S/C15H13N3OS/c1-10(17)12(8-16)14(19)9-20-15-7-6-11-4-2-3-5-13(11)18-15/h2-7H,9,17H2,1H3/b12-10+