propan-2-yl 4-chloranyl-3-[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-chloranyl-3-[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-chloro-3-[[2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-3-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC(C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC(C)C)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-13(2)30-21(29)16-9-10-17(23)18(11-16)24-19(28)12-31-22-26-25-20(27(22)4)15-7-5-14(3)6-8-15/h5-11,13H,12H2,1-4H3,(H,24,28)