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

Systemtic Name: phenyl 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C19H19N3O3S2/c23-27(24,25-17-9-5-2-6-10-17)14-13-26-19-20-18(15-11-12-15)22(21-19)16-7-3-1-4-8-16/h1-10,15H,11-14H2