tert-butyl 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C18H23ClN4O2S/c1-18(2,3)25-15(24)12-26-17-21-20-16(22-9-4-5-10-22)23(17)14-8-6-7-13(19)11-14/h6-8,11H,4-5,9-10,12H2,1-3H3