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

Systemtic Name: phenyl 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCS(=O)(=O)OC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCCS(=O)(=O)OC3=CC=CC=C3)C4=CC=CS4

InChI

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