(E)-3-[(3-bromophenyl)methylsulfanyl]-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide

Systemtic Name: (E)-3-[(3-bromophenyl)methylsulfanyl]-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide Openeye Name: (E)-3-[(3-bromophenyl)methylsulfanyl]-2-cyano-3-(2-methylanilino)prop-2-enamide CAS Name: (E)-3-[(3-bromophenyl)methylthio]-2-cyano-3-(2-methylanilino)-2-propenamide IUPAC Name: (E)-3-[(3-bromophenyl)methylsulfanyl]-2-cyano-3-(2-methylanilino)prop-2-enamide Traditional Name: (E)-3-[(3-bromobenzyl)thio]-2-cyano-3-(o-toluidino)acrylamide Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=C(C#N)C(=O)N)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC=CC=C1N/C(=C(/C#N)\C(=O)N)/SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H16BrN3OS/c1-12-5-2-3-8-16(12)22-18(15(10-20)17(21)23)24-11-13-6-4-7-14(19)9-13/h2-9,22H,11H2,1H3,(H2,21,23)/b18-15+