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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (5-chloro-2-methoxy-phenyl)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-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)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-2-methoxy-benzyl) ester Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=C(C=CC(=C2)Cl)OC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=C(C=CC(=C2)Cl)OC)C3=CC=CS3

InChI

InChI=1S/C18H18ClN3O3S2/c1-3-22-17(15-5-4-8-26-15)20-21-18(22)27-11-16(23)25-10-12-9-13(19)6-7-14(12)24-2/h4-9H,3,10-11H2,1-2H3