1-[(3-chlorophenyl)methylsulfanyl]-4-pyrimidin-5-yl-phthalazine

Systemtic Name: 1-[(3-chlorophenyl)methylsulfanyl]-4-pyrimidin-5-yl-phthalazine Openeye Name: 1-[(3-chlorophenyl)methylsulfanyl]-4-pyrimidin-5-yl-phthalazine CAS Name: 1-[(3-chlorophenyl)methylthio]-4-(5-pyrimidinyl)phthalazine IUPAC Name: 1-[(3-chlorophenyl)methylsulfanyl]-4-pyrimidin-5-ylphthalazine Traditional Name: 1-[(3-chlorobenzyl)thio]-4-(5-pyrimidyl)phthalazine Formula: C19H13ClN4S MolecularWeight: 364.85132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC(=CC=C3)Cl)C4=CN=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC(=CC=C3)Cl)C4=CN=CN=C4

InChI

InChI=1S/C19H13ClN4S/c20-15-5-3-4-13(8-15)11-25-19-17-7-2-1-6-16(17)18(23-24-19)14-9-21-12-22-10-14/h1-10,12H,11H2