propan-2-yl 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1N)C2CCCCC2

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1N)C2CCCCC2

InChI

InChI=1S/C13H22N4O2S/c1-9(2)19-11(18)8-20-13-16-15-12(17(13)14)10-6-4-3-5-7-10/h9-10H,3-8,14H2,1-2H3