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

Systemtic Name: phenyl 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(4-allyl-5-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:

C=CCN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S2/c1-2-13-22-18(16-9-5-3-6-10-16)20-21-19(22)26-14-15-27(23,24)25-17-11-7-4-8-12-17/h2-12H,1,13-15H2