[(1R)-1-cyanoethyl] 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C19H15N3O2S3 MolecularWeight: 413.5363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H15N3O2S3/c1-13(11-20)24-17(23)15-7-9-16(10-8-15)22-19(25)27-18(21-22)26-12-14-5-3-2-4-6-14/h2-10,13H,12H2,1H3/t13-/m1/s1