1-[3-butyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridazin-5-yl]ethanone

Systemtic Name: 1-[3-butyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridazin-5-yl]ethanone Openeye Name: 1-[3-butyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridazin-5-yl]ethanone CAS Name: 1-[3-butyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridazin-5-yl]ethanone IUPAC Name: 1-[3-butyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridazin-5-yl]ethanone Traditional Name: 1-[3-butyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridazin-5-yl]ethanone Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC=C(C1C2=CC(=CC=C2)SC)C(=O)C

Isomeric SMILES

CCCCC1=NNC=C(C1C2=CC(=CC=C2)SC)C(=O)C

InChI

InChI=1S/C17H22N2OS/c1-4-5-9-16-17(15(12(2)20)11-18-19-16)13-7-6-8-14(10-13)21-3/h6-8,10-11,17-18H,4-5,9H2,1-3H3