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

Systemtic Name: tert-butyl 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O2S/c1-14(2,3)20-11(19)9-21-13-17-16-12(18(13)15)10-7-5-4-6-8-10/h10H,4-9,15H2,1-3H3