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

Systemtic Name: phenyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3CC3

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C14H17N3O3S2/c1-17-13(11-7-8-11)15-16-14(17)21-9-10-22(18,19)20-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3