2-[2-(4-chlorophenyl)-4-thiophen-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole

Systemtic Name: 2-[2-(4-chlorophenyl)-4-thiophen-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole Openeye Name: 2-[2-(4-chlorophenyl)-4-(2-thienyl)pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole CAS Name: 2-[2-(4-chlorophenyl)-4-thiophen-2-yl-7-pyrazolo[3,4-d]pyridazinyl]-1,3-benzothiazole IUPAC Name: 2-[2-(4-chlorophenyl)-4-thiophen-2-ylpyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole Traditional Name: 2-[2-(4-chlorophenyl)-4-(2-thienyl)pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole Formula: C22H12ClN5S2 MolecularWeight: 445.94718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=NN=C(C4=CN(N=C43)C5=CC=C(C=C5)Cl)C6=CC=CS6

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NN=C(C4=CN(N=C43)C5=CC=C(C=C5)Cl)C6=CC=CS6

InChI

InChI=1S/C22H12ClN5S2/c23-13-7-9-14(10-8-13)28-12-15-19(18-6-3-11-29-18)25-26-21(20(15)27-28)22-24-16-4-1-2-5-17(16)30-22/h1-12H