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

Systemtic Name: (3R)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanoate Openeye Name: (3R)-3-phenyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (3R)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-phenylpropanoate IUPAC Name: (3R)-3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanoate Traditional Name: (3R)-3-phenyl-3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](CC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-12-7-9-14(10-8-12)17-19-18(21-20-17)24-15(11-16(22)23)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,22,23)(H,19,20,21)/p-1/t15-/m1/s1