(E)-3-azanyl-2-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-methylquinolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-methyl-2-quinolyl)thio]acetyl]but-2-enenitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C16H15N3OS/c1-10-7-16(19-14-6-4-3-5-12(10)14)21-9-15(20)13(8-17)11(2)18/h3-7H,9,18H2,1-2H3/b13-11+