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

Systemtic Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)O

InChI

InChI=1S/C17H21N3O2S/c1-12-6-5-7-13(10-12)16-18-19-17(23-11-15(21)22)20(16)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,21,22)