4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-4-26-21(15-5-7-17(23)8-6-15)24-25-22(26)29-12-16-11-20(27)28-19-10-14(3)13(2)9-18(16)19/h5-11H,4,12H2,1-3H3