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

Systemtic Name: methyl 4-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(3-methoxy-1-methyl-4-pyrazolyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H19N5O3S/c1-21-9-13(15(20-21)24-3)14-18-19-17(22(14)2)26-10-11-5-7-12(8-6-11)16(23)25-4/h5-9H,10H2,1-4H3