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

Systemtic Name: tert-butyl 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)(C)C)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)(C)C)N3CCCC3

InChI

InChI=1S/C19H26N4O2S/c1-14-7-9-15(10-8-14)23-17(22-11-5-6-12-22)20-21-18(23)26-13-16(24)25-19(2,3)4/h7-10H,5-6,11-13H2,1-4H3