methyl (2E)-2,6,6-tricyano-3-methylsulfanyl-5-phenyl-hexa-2,5-dienoate

Systemtic Name: methyl (2E)-2,6,6-tricyano-3-methylsulfanyl-5-phenyl-hexa-2,5-dienoate Openeye Name: methyl (2E)-2,6,6-tricyano-3-methylsulfanyl-5-phenyl-hexa-2,5-dienoate CAS Name: (2E)-2,6,6-tricyano-3-(methylthio)-5-phenylhexa-2,5-dienoic acid methyl ester IUPAC Name: methyl (2E)-2,6,6-tricyano-3-methylsulfanyl-5-phenylhexa-2,5-dienoate Traditional Name: (2E)-2,6,6-tricyano-3-(methylthio)-5-phenyl-hexa-2,5-dienoic acid methyl ester Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CC(=C(C#N)C#N)C1=CC=CC=C1)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\CC(=C(C#N)C#N)C1=CC=CC=C1)/SC)/C#N

InChI

InChI=1S/C17H13N3O2S/c1-22-17(21)15(11-20)16(23-2)8-14(13(9-18)10-19)12-6-4-3-5-7-12/h3-7H,8H2,1-2H3/b16-15+