(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H20ClN5O2S2 MolecularWeight: 473.9988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C21H20ClN5O2S2/c1-3-26-20(17-10-7-11-30-17)23-24-21(26)31-13-18(28)29-12-16-14(2)25-27(19(16)22)15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3