methyl 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)CNC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN4O2S/c1-18-11(7-15-10-5-3-9(14)4-6-10)16-17-13(18)21-8-12(19)20-2/h3-6,15H,7-8H2,1-2H3