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

Systemtic Name: methyl 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C14H17ClN4O2S MolecularWeight: 340.82838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)CNC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H17ClN4O2S/c1-3-19-12(8-16-11-6-4-10(15)5-7-11)17-18-14(19)22-9-13(20)21-2/h4-7,16H,3,8-9H2,1-2H3