1-[(3-chlorophenyl)methylsulfanyl]-4-pyridin-2-yl-phthalazine

Systemtic Name: 1-[(3-chlorophenyl)methylsulfanyl]-4-pyridin-2-yl-phthalazine Openeye Name: 1-[(3-chlorophenyl)methylsulfanyl]-4-(2-pyridyl)phthalazine CAS Name: 1-[(3-chlorophenyl)methylthio]-4-(2-pyridinyl)phthalazine IUPAC Name: 1-[(3-chlorophenyl)methylsulfanyl]-4-pyridin-2-ylphthalazine Traditional Name: 1-[(3-chlorobenzyl)thio]-4-(2-pyridyl)phthalazine Formula: C20H14ClN3S MolecularWeight: 363.86326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC(=CC=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC(=CC=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C20H14ClN3S/c21-15-7-5-6-14(12-15)13-25-20-17-9-2-1-8-16(17)19(23-24-20)18-10-3-4-11-22-18/h1-12H,13H2