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

Systemtic Name: 3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]propionate Formula: C11H16N3O2S- MolecularWeight: 254.32864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2)SCCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2)SCCC(=O)[O-]

InChI

InChI=1S/C11H17N3O2S/c15-9(16)6-7-17-11-12-10(13-14-11)8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16)(H,12,13,14)/p-1