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

Systemtic Name: [2-[(2R)-5-naphthalen-1-yl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(2R)-5-(1-naphthyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(2R)-5-(1-naphthalenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] ester IUPAC Name: [2-[(2R)-5-naphthalen-1-yl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(2R)-5-(1-naphthyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenyl] ester Formula: C25H20N2O3S2 MolecularWeight: 460.5679

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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=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2[C@@H]3NN=C(S3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H20N2O3S2/c1-17-13-15-19(16-14-17)32(28,29)30-23-12-5-4-10-22(23)25-27-26-24(31-25)21-11-6-8-18-7-2-3-9-20(18)21/h2-16,25,27H,1H3/t25-/m1/s1