2-cyclopropyl-4-(dimethylaminomethyl)-5-methyl-6-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-cyclopropyl-4-(dimethylaminomethyl)-5-methyl-6-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-cyclopropyl-4-(dimethylaminomethyl)-5-methyl-6-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-cyclopropyl-4-(dimethylaminomethyl)-5-methyl-6-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-cyclopropyl-4-(dimethylaminomethyl)-5-methyl-6-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-cyclopropyl-4-(dimethylaminomethyl)-6-(4-mesylphenyl)-5-methyl-pyridazin-3-one Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)C3CC3)CN(C)C

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)C3CC3)CN(C)C

InChI

InChI=1S/C18H23N3O3S/c1-12-16(11-20(2)3)18(22)21(14-7-8-14)19-17(12)13-5-9-15(10-6-13)25(4,23)24/h5-6,9-10,14H,7-8,11H2,1-4H3