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

Systemtic Name: phenyl 2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3S3/c21-26(22,23-15-9-5-2-6-10-15)12-11-24-17-20-19-16(25-17)18-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,18,19)