(1-pyridin-4-ylsulfanyl-3-sulfanylidene-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-pyridin-4-ylsulfanyl-3-sulfanylidene-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-methanethioyl-2-(4-pyridylsulfanyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(pyridin-4-ylthio)-3-sulfanylidenepropan-2-yl] ester IUPAC Name: (1-pyridin-4-ylsulfanyl-3-sulfanylidenepropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[(4-pyridylthio)methyl]-2-thioxo-ethyl] ester Formula: C15H15NO3S3 MolecularWeight: 353.4795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CSC2=CC=NC=C2)C=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CSC2=CC=NC=C2)C=S

InChI

InChI=1S/C15H15NO3S3/c1-12-2-4-15(5-3-12)22(17,18)19-13(10-20)11-21-14-6-8-16-9-7-14/h2-10,13H,11H2,1H3