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

Systemtic Name: tert-butyl 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)OC(C)(C)C)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)OC(C)(C)C)N3CCOCC3

InChI

InChI=1S/C19H26N4O3S/c1-14-6-5-7-15(12-14)23-17(22-8-10-25-11-9-22)20-21-18(23)27-13-16(24)26-19(2,3)4/h5-7,12H,8-11,13H2,1-4H3