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

Systemtic Name: 3-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C16H19N4O2S- MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCC(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCC(=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C16H20N4O2S/c21-14(22)8-11-23-16-19-18-15(12-6-9-17-10-7-12)20(16)13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8,11H2,(H,21,22)/p-1