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

Systemtic Name: 4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4CC4

InChI

InChI=1S/C19H21N3O2S/c1-4-22-18(13-5-6-13)20-21-19(22)25-10-14-9-17(23)24-16-8-12(3)11(2)7-15(14)16/h7-9,13H,4-6,10H2,1-3H3