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

Systemtic Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-13(17(22)23)24-18-20-19-16(15-10-6-3-7-11-15)21(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,22,23)