(E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-[(3-nitrophenyl)methylsulfanyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-[(3-nitrophenyl)methylsulfanyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-ethoxyanilino)-3-[(3-nitrophenyl)methylsulfanyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(4-ethoxyanilino)-3-[(3-nitrophenyl)methylthio]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-ethoxyanilino)-3-[(3-nitrophenyl)methylsulfanyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[(3-nitrobenzyl)thio]-3-(p-phenetidino)acrylamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C#N)C(=O)N)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N/C(=C(/C#N)\C(=O)N)/SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-2-27-16-8-6-14(7-9-16)22-19(17(11-20)18(21)24)28-12-13-4-3-5-15(10-13)23(25)26/h3-10,22H,2,12H2,1H3,(H2,21,24)/b19-17+