(Z)-3-methylsulfanyl-5-oxidanylidene-2-(2-phenyl-1,3-thiazol-4-yl)hex-2-enenitrile

Systemtic Name: (Z)-3-methylsulfanyl-5-oxidanylidene-2-(2-phenyl-1,3-thiazol-4-yl)hex-2-enenitrile Openeye Name: (Z)-3-methylsulfanyl-5-oxo-2-(2-phenylthiazol-4-yl)hex-2-enenitrile CAS Name: (Z)-3-(methylthio)-5-oxo-2-(2-phenyl-4-thiazolyl)-2-hexenenitrile IUPAC Name: (Z)-3-methylsulfanyl-5-oxo-2-(2-phenyl-1,3-thiazol-4-yl)hex-2-enenitrile Traditional Name: (Z)-5-keto-3-(methylthio)-2-(2-phenylthiazol-4-yl)hex-2-enenitrile Formula: C16H14N2OS2 MolecularWeight: 314.42516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=C(C#N)C1=CSC(=N1)C2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)C/C(=C(/C#N)\C1=CSC(=N1)C2=CC=CC=C2)/SC

InChI

InChI=1S/C16H14N2OS2/c1-11(19)8-15(20-2)13(9-17)14-10-21-16(18-14)12-6-4-3-5-7-12/h3-7,10H,8H2,1-2H3/b15-13+