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

Systemtic Name: phenyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C13H17N3O3S3 MolecularWeight: 359.48738

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCNC1=NN=C(S1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O3S3/c1-2-8-14-12-15-16-13(21-12)20-9-10-22(17,18)19-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)