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

Systemtic Name: 3-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C16H16ClN3O3S/c1-3-4-20-15(22)18-19-16(20)24-8-10-6-14(21)23-13-5-9(2)12(17)7-11(10)13/h5-7H,3-4,8H2,1-2H3,(H,18,22)