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

Systemtic Name: 4-butyl-3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)CC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)CC

InChI

InChI=1S/C18H21N3O3S/c1-3-5-8-21-17(23)19-20-18(21)25-11-13-10-16(22)24-15-9-12(4-2)6-7-14(13)15/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,19,23)