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

Systemtic Name: 4-butyl-3-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c1-3-4-5-21-16(23)19-20-17(21)25-9-11-7-15(22)24-14-6-10(2)13(18)8-12(11)14/h6-8H,3-5,9H2,1-2H3,(H,19,23)