[4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl] ester Formula: C19H19N3O4S3 MolecularWeight: 449.56686

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C19H19N3O4S3/c1-4-27-19-22-21-18(28-19)20-17(23)14-7-9-15(10-8-14)26-29(24,25)16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,20,21,23)