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

Systemtic Name: (2R)-2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2R)-2-[[4-cyclohexyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[4-cyclohexyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)SC(C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3CCCCC3)S[C@H](C)C(=O)[O-]

InChI

InChI=1S/C18H23N3O2S/c1-12-7-6-8-14(11-12)16-19-20-18(24-13(2)17(22)23)21(16)15-9-4-3-5-10-15/h6-8,11,13,15H,3-5,9-10H2,1-2H3,(H,22,23)/p-1/t13-/m1/s1