(E)-3-azanyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]but-2-enenitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)C(=C(C)N)C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)/C(=C(\C)/N)/C#N)C)C

InChI

InChI=1S/C18H19N3OS/c1-10-5-12(3)18-14(6-10)11(2)7-17(21-18)23-9-16(22)15(8-19)13(4)20/h5-7H,9,20H2,1-4H3/b15-13+