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

Systemtic Name: methyl 2-chloranyl-5-[2-[[4-methyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 5-[[2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chloro-benzoate CAS Name: 2-chloro-5-[[2-[[4-methyl-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-[[2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-[[5-[(benzylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)CSCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O3S2/c1-26-18(12-30-11-14-6-4-3-5-7-14)24-25-21(26)31-13-19(27)23-15-8-9-17(22)16(10-15)20(28)29-2/h3-10H,11-13H2,1-2H3,(H,23,27)