4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-methylsulfonyl-1H-phthalazine

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-methylsulfonyl-1H-phthalazine Openeye Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-2-methylsulfonyl-1H-phthalazine CAS Name: 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-2-methylsulfonyl-1H-phthalazine IUPAC Name: 4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxy-2-methylsulfonyl-1H-phthalazine Traditional Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-2-mesyl-7-methoxy-1H-phthalazine Formula: C16H15Cl2N3O3S MolecularWeight: 400.2796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2)S(=O)(=O)C)CC3=C(C=NC=C3Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2)S(=O)(=O)C)CC3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C16H15Cl2N3O3S/c1-24-11-3-4-12-10(5-11)9-21(25(2,22)23)20-16(12)6-13-14(17)7-19-8-15(13)18/h3-5,7-8H,6,9H2,1-2H3