4-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 4-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H19N3O2S/c20-15(21)13-8-6-11(7-9-13)10-22-16-17-14(18-19-16)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,20,21)(H,17,18,19)/p-1