methyl 2-[2-[[5-[[[2,5-bis(chloranyl)phenyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[5-[[[2,5-bis(chloranyl)phenyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[5-[(2,5-dichloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-[(2,5-dichloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-[(2,5-dichloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-[(2,5-dichloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19Cl2N5O3S MolecularWeight: 480.36756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CNC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)CNC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2N5O3S/c1-27-17(10-23-16-9-12(21)7-8-14(16)22)25-26-20(27)31-11-18(28)24-15-6-4-3-5-13(15)19(29)30-2/h3-9,23H,10-11H2,1-2H3,(H,24,28)