5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-4-(propan-2-ylamino)pyridazin-3-one

Systemtic Name: 5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-4-(propan-2-ylamino)pyridazin-3-one Openeye Name: 2-benzyl-4-(isopropylamino)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-4-(propan-2-ylamino)-3-pyridazinone IUPAC Name: 2-benzyl-5-(4-methylsulfonylphenyl)-4-(propan-2-ylamino)pyridazin-3-one Traditional Name: 2-benzyl-4-(isopropylamino)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=NN(C1=O)CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)NC1=C(C=NN(C1=O)CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O3S/c1-15(2)23-20-19(17-9-11-18(12-10-17)28(3,26)27)13-22-24(21(20)25)14-16-7-5-4-6-8-16/h4-13,15,23H,14H2,1-3H3