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

Systemtic Name: phenyl 2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C16H17N3O3S4 MolecularWeight: 427.58448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NN=C(S2)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NN=C(S2)NCCC3=CC=CS3

InChI

InChI=1S/C16H17N3O3S4/c20-26(21,22-13-5-2-1-3-6-13)12-11-24-16-19-18-15(25-16)17-9-8-14-7-4-10-23-14/h1-7,10H,8-9,11-12H2,(H,17,18)