(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-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 (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-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 (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H18ClN3O4S2 MolecularWeight: 475.96832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C4=CC=CS4

InChI

InChI=1S/C21H18ClN3O4S2/c1-3-25-20(17-5-4-6-30-17)23-24-21(25)31-11-19(27)28-10-13-8-18(26)29-16-7-12(2)15(22)9-14(13)16/h4-9H,3,10-11H2,1-2H3