(Z)-2-cyano-3-[3-methoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[3-methoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (Z)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(phenylthio)methyl]phenyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (Z)-N-benzyl-2-cyano-3-[4-hydroxy-3-methoxy-5-[(phenylthio)methyl]phenyl]acrylamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(/C#N)\C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H22N2O3S/c1-30-23-14-19(13-21(24(23)28)17-31-22-10-6-3-7-11-22)12-20(15-26)25(29)27-16-18-8-4-2-5-9-18/h2-14,28H,16-17H2,1H3,(H,27,29)/b20-12-