4-chloranyl-2-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]-5-ethylsulfanyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-2-[4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]pyridin-2-yl]-5-ethylsulfanyl-pyridazin-3-one Openeye Name: 4-chloro-2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-5-ethylsulfanyl-pyridazin-3-one CAS Name: 4-chloro-2-[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-5-(ethylthio)-3-pyridazinone IUPAC Name: 4-chloro-2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]-5-ethylsulfanylpyridazin-3-one Traditional Name: 4-chloro-2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridyl]-5-(ethylthio)pyridazin-3-one Formula: C21H16Cl2N6OS MolecularWeight: 471.36234

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)N(N=C1)C2=NC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)Cl

Isomeric SMILES

CCSC1=C(C(=O)N(N=C1)C2=NC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2N6OS/c1-2-31-17-12-26-29(20(30)19(17)23)18-10-13(6-8-24-18)16-7-9-25-21(28-16)27-15-5-3-4-14(22)11-15/h3-12H,2H2,1H3,(H,25,27,28)