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

Systemtic Name: tert-butyl 2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-morpholino-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:

CC(C)(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C19H26N4O3S/c1-19(2,3)26-16(24)14-27-18-21-20-17(22-9-11-25-12-10-22)23(18)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3