(2-sulfanylidenepyridin-1-yl) 2-phenylsulfanyl-2-prop-2-enyl-hept-6-ynoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 2-phenylsulfanyl-2-prop-2-enyl-hept-6-ynoate Openeye Name: (2-thioxo-1-pyridyl) 2-allyl-2-phenylsulfanyl-hept-6-ynoate CAS Name: 2-(phenylthio)-2-prop-2-enyl-6-heptynoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 2-phenylsulfanyl-2-prop-2-enylhept-6-ynoate Traditional Name: 2-allyl-2-(phenylthio)hept-6-ynoic acid (2-thioxo-1-pyridyl) ester Formula: C21H21NO2S2 MolecularWeight: 383.52694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CCCC#C)(C(=O)ON1C=CC=CC1=S)SC2=CC=CC=C2

Isomeric SMILES

C=CCC(CCCC#C)(C(=O)ON1C=CC=CC1=S)SC2=CC=CC=C2

InChI

InChI=1S/C21H21NO2S2/c1-3-5-10-16-21(15-4-2,26-18-12-7-6-8-13-18)20(23)24-22-17-11-9-14-19(22)25/h1,4,6-9,11-14,17H,2,5,10,15-16H2