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

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

C1CCC(CC1)C2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)O

InChI

InChI=1S/C18H23N3O2S/c22-16(23)11-12-24-18-20-19-17(15-9-5-2-6-10-15)21(18)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,22,23)