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

Systemtic Name: 4-butyl-3-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-5-6-7-23-19(25)21-22-20(23)27-11-14-9-18(24)26-17-8-13(4)15(12(2)3)10-16(14)17/h8-10,12H,5-7,11H2,1-4H3,(H,21,25)