1-(pyridin-4-ylmethyl)-4-(pyridin-2-ylmethylsulfanyl)phthalazine

Systemtic Name: 1-(pyridin-4-ylmethyl)-4-(pyridin-2-ylmethylsulfanyl)phthalazine Openeye Name: 1-(4-pyridylmethyl)-4-(2-pyridylmethylsulfanyl)phthalazine CAS Name: 1-(pyridin-4-ylmethyl)-4-(2-pyridinylmethylthio)phthalazine IUPAC Name: 1-(pyridin-4-ylmethyl)-4-(pyridin-2-ylmethylsulfanyl)phthalazine Traditional Name: 1-(4-pyridylmethyl)-4-(2-pyridylmethylthio)phthalazine Formula: C20H16N4S MolecularWeight: 344.43284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC=CC=N3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC=CC=N3)CC4=CC=NC=C4

InChI

InChI=1S/C20H16N4S/c1-2-7-18-17(6-1)19(13-15-8-11-21-12-9-15)23-24-20(18)25-14-16-5-3-4-10-22-16/h1-12H,13-14H2