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

Systemtic Name: cyclohexyl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: cyclohexyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propionic acid cyclohexyl ester Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCCCC1)SC2=NNC(=N2)N

Isomeric SMILES

CC(C(=O)OC1CCCCC1)SC2=NNC(=N2)N

InChI

InChI=1S/C11H18N4O2S/c1-7(18-11-13-10(12)14-15-11)9(16)17-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H3,12,13,14,15)