1-phenyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-phthalazine

Systemtic Name: 1-phenyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-phthalazine Openeye Name: 1-phenyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]phthalazine CAS Name: 1-phenyl-4-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]phthalazine IUPAC Name: 1-phenyl-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylphthalazine Traditional Name: 1-phenyl-4-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]phthalazine Formula: C23H20N4O2S2 MolecularWeight: 448.5605

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H20N4O2S2/c28-31(29,27-14-6-7-15-27)18-12-13-21(24-16-18)30-23-20-11-5-4-10-19(20)22(25-26-23)17-8-2-1-3-9-17/h1-5,8-13,16H,6-7,14-15H2