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

Systemtic Name: 4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-4-25-20(15-5-7-22-8-6-15)23-24-21(25)28-12-16-11-19(26)27-18-10-14(3)13(2)9-17(16)18/h5-11H,4,12H2,1-3H3