(E)-2-cyano-3-[(2,4-dimethylphenyl)methylsulfanyl]-3-[(2-methylphenyl)amino]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[(2,4-dimethylphenyl)methylsulfanyl]-3-[(2-methylphenyl)amino]prop-2-enamide Openeye Name: (E)-2-cyano-3-[(2,4-dimethylphenyl)methylsulfanyl]-3-(2-methylanilino)prop-2-enamide CAS Name: (E)-2-cyano-3-[(2,4-dimethylphenyl)methylthio]-3-(2-methylanilino)-2-propenamide IUPAC Name: (E)-2-cyano-3-[(2,4-dimethylphenyl)methylsulfanyl]-3-(2-methylanilino)prop-2-enamide Traditional Name: (E)-2-cyano-3-[(2,4-dimethylbenzyl)thio]-3-(o-toluidino)acrylamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC(=C(C#N)C(=O)N)NC2=CC=CC=C2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CS/C(=C(\C#N)/C(=O)N)/NC2=CC=CC=C2C)C

InChI

InChI=1S/C20H21N3OS/c1-13-8-9-16(15(3)10-13)12-25-20(17(11-21)19(22)24)23-18-7-5-4-6-14(18)2/h4-10,23H,12H2,1-3H3,(H2,22,24)/b20-17+