methyl 4-[2-[[4-(3-chlorophenyl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[4-(3-chlorophenyl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-(3-chlorophenyl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-(3-chlorophenyl)-5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[4-(3-chlorophenyl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(3-chlorophenyl)-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H23ClN6O3S2 MolecularWeight: 555.07152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C25H23ClN6O3S2/c1-15-11-16(2)28-24(27-15)36-13-21-30-31-25(32(21)20-6-4-5-18(26)12-20)37-14-22(33)29-19-9-7-17(8-10-19)23(34)35-3/h4-12H,13-14H2,1-3H3,(H,29,33)