4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)O)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)O)C4CC4

InChI

InChI=1S/C18H19N3O3S/c1-3-21-17(11-4-5-11)19-20-18(21)25-9-12-8-15(23)24-16-10(2)14(22)7-6-13(12)16/h6-8,11,22H,3-5,9H2,1-2H3