2-[2-[[5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[[5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-butyric acid Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC(C(C)C)C(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC(C(C)C)C(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-13(2)20(22(30)31)25-19(29)12-32-23-27-26-21(16-6-5-7-17(24)11-16)28(23)18-10-14(3)8-9-15(18)4/h5-11,13,20H,12H2,1-4H3,(H,25,29)(H,30,31)