2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-4-[(prop-2-ynylamino)methyl]pyridazin-3-one

Systemtic Name: 2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-4-[(prop-2-ynylamino)methyl]pyridazin-3-one Openeye Name: 2-isobutyl-6-(4-methylsulfanylphenyl)-4-[(prop-2-ynylamino)methyl]pyridazin-3-one CAS Name: 2-(2-methylpropyl)-6-[4-(methylthio)phenyl]-4-[(prop-2-ynylamino)methyl]-3-pyridazinone IUPAC Name: 2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-4-[(prop-2-ynylamino)methyl]pyridazin-3-one Traditional Name: 2-isobutyl-6-[4-(methylthio)phenyl]-4-[(propargylamino)methyl]pyridazin-3-one Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)SC)CNCC#C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)SC)CNCC#C

InChI

InChI=1S/C19H23N3OS/c1-5-10-20-12-16-11-18(15-6-8-17(24-4)9-7-15)21-22(19(16)23)13-14(2)3/h1,6-9,11,14,20H,10,12-13H2,2-4H3