ethyl 4-[[(E)-1-cyano-2-prop-2-enylsulfanyl-2-pyrrolidin-1-yl-ethenyl]diazenyl]benzoate

Systemtic Name: ethyl 4-[[(E)-1-cyano-2-prop-2-enylsulfanyl-2-pyrrolidin-1-yl-ethenyl]diazenyl]benzoate Openeye Name: ethyl 4-[(E)-2-allylsulfanyl-1-cyano-2-pyrrolidin-1-yl-vinyl]azobenzoate CAS Name: 4-[(E)-1-cyano-2-(prop-2-enylthio)-2-(1-pyrrolidinyl)ethenyl]azobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-cyano-2-prop-2-enylsulfanyl-2-pyrrolidin-1-ylethenyl]diazenyl]benzoate Traditional Name: 4-[(E)-2-(allylthio)-1-cyano-2-pyrrolidino-vinyl]azobenzoic acid ethyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NC(=C(N2CCCC2)SCC=C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=N/C(=C(\N2CCCC2)/SCC=C)/C#N

InChI

InChI=1S/C19H22N4O2S/c1-3-13-26-18(23-11-5-6-12-23)17(14-20)22-21-16-9-7-15(8-10-16)19(24)25-4-2/h3,7-10H,1,4-6,11-13H2,2H3/b18-17+,22-21?