phenyl 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C16H14N2O3S4 MolecularWeight: 410.55396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O3S4/c19-25(20,21-14-9-5-2-6-10-14)12-11-23-15-17-18(16(22)24-15)13-7-3-1-4-8-13/h1-10H,11-12H2