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

Systemtic Name: phenyl 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C20H21ClN4O3S2 MolecularWeight: 464.98874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4O3S2/c21-17-10-4-5-11-18(17)25-19(24-12-6-7-13-24)22-23-20(25)29-14-15-30(26,27)28-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2