4-butyl-3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)CC)O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)CC)O

InChI

InChI=1S/C18H21N3O4S/c1-3-5-6-21-17(24)19-20-18(21)26-10-12-8-16(23)25-15-9-14(22)11(4-2)7-13(12)15/h7-9,22H,3-6,10H2,1-2H3,(H,19,24)