methyl 4-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H24N4O2S/c1-5-25-19(16-10-12-18(13-11-16)24(2)3)22-23-21(25)28-14-15-6-8-17(9-7-15)20(26)27-4/h6-13H,5,14H2,1-4H3