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

Systemtic Name: methyl 4-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-ethyl-5-(3-methoxy-1-methyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CN(N=C3OC)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3=CN(N=C3OC)C

InChI

InChI=1S/C18H21N5O3S/c1-5-23-15(14-10-22(2)21-16(14)25-3)19-20-18(23)27-11-12-6-8-13(9-7-12)17(24)26-4/h6-10H,5,11H2,1-4H3