methyl 4,4-dicyano-N-(4-methylphenyl)sulfonyl-3-phenyl-but-3-enimidothioate

Systemtic Name: methyl 4,4-dicyano-N-(4-methylphenyl)sulfonyl-3-phenyl-but-3-enimidothioate Openeye Name: methyl 4,4-dicyano-3-phenyl-N-(p-tolylsulfonyl)but-3-enimidothioate CAS Name: 4,4-dicyano-N-(4-methylphenyl)sulfonyl-3-phenyl-3-butenimidothioic acid methyl ester IUPAC Name: methyl 4,4-dicyano-N-(4-methylphenyl)sulfonyl-3-phenylbut-3-enimidothioate Traditional Name: 4,4-dicyano-3-phenyl-N-tosyl-but-3-enimidothioic acid methyl ester Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(CC(=C(C#N)C#N)C2=CC=CC=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(CC(=C(C#N)C#N)C2=CC=CC=C2)SC

InChI

InChI=1S/C20H17N3O2S2/c1-15-8-10-18(11-9-15)27(24,25)23-20(26-2)12-19(17(13-21)14-22)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3