2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC(=CC=C2)Cl)C3CCCCC3

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC(=CC=C2)Cl)C3CCCCC3

InChI

InChI=1S/C17H20ClN3O2S/c1-11(16(22)23)24-17-20-19-15(12-6-3-2-4-7-12)21(17)14-9-5-8-13(18)10-14/h5,8-12H,2-4,6-7H2,1H3,(H,22,23)