phenyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H23N3O3S2/c21-25(22,23-15-8-2-1-3-9-15)13-12-24-17-18-16(19-20-17)11-10-14-6-4-5-7-14/h1-3,8-9,14H,4-7,10-13H2,(H,18,19,20)