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

Systemtic Name: [4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic 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] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl] ester Formula: C17H14N4O6S3 MolecularWeight: 466.51126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S3/c1-2-28-17-20-19-16(29-17)18-15(22)11-6-8-13(9-7-11)27-30(25,26)14-5-3-4-12(10-14)21(23)24/h3-10H,2H2,1H3,(H,18,19,22)