[2-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] ester IUPAC Name: [2-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(2R)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3NN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2[C@@H]3NN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S2/c1-15-11-13-17(14-12-15)28(24,25)26-19-10-6-5-9-18(19)21-23-22-20(27-21)16-7-3-2-4-8-16/h2-14,21,23H,1H3/t21-/m1/s1