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

Systemtic Name: phenyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C12H15N3O3S3 MolecularWeight: 345.4608

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCNC1=NN=C(S1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H15N3O3S3/c1-2-13-11-14-15-12(20-11)19-8-9-21(16,17)18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)