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

Systemtic Name: phenyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C16H19N3O3S2/c20-24(21,22-14-4-2-1-3-5-14)11-10-23-16-18-17-15(12-6-7-12)19(16)13-8-9-13/h1-5,12-13H,6-11H2