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

Systemtic Name: phenyl 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C13H15N3O3S3 MolecularWeight: 357.4715

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NN=C(S2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CC1NC2=NN=C(S2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C13H15N3O3S3/c17-22(18,19-11-4-2-1-3-5-11)9-8-20-13-16-15-12(21-13)14-10-6-7-10/h1-5,10H,6-9H2,(H,14,15)