(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[2-(phenylmethylsulfanyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-[2-(phenylmethylsulfanyl)ethyl]prop-2-enamide Openeye Name: (E)-N-(2-benzylsulfanylethyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-N-[2-(phenylmethylthio)ethyl]-2-propenamide IUPAC Name: (E)-N-(2-benzylsulfanylethyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Traditional Name: (E)-N-[2-(benzylthio)ethyl]-3-[1-(2-cyanoethyl)indol-3-yl]acrylamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C23H23N3OS/c24-13-6-15-26-17-20(21-9-4-5-10-22(21)26)11-12-23(27)25-14-16-28-18-19-7-2-1-3-8-19/h1-5,7-12,17H,6,14-16,18H2,(H,25,27)/b12-11+