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

Systemtic Name: phenyl 2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(allylamino)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S3/c1-2-8-14-12-15-16-13(21-12)20-9-10-22(17,18)19-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,15)