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

Systemtic Name: phenyl 2-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(m-toluidino)-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:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3S3/c1-13-6-5-7-14(12-13)18-16-19-20-17(25-16)24-10-11-26(21,22)23-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3,(H,18,19)