N-(1,3-benzothiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[6-[4-(1-imidazolyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]thio]acetamide Formula: C22H16N6OS2 MolecularWeight: 444.53204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN=C(C=C3)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C22H16N6OS2/c29-20(25-22-24-18-3-1-2-4-19(18)31-22)13-30-21-10-9-17(26-27-21)15-5-7-16(8-6-15)28-12-11-23-14-28/h1-12,14H,13H2,(H,24,25,29)