4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butyramide Formula: C28H23BrN4O2S MolecularWeight: 559.47682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCN4C(=O)C=CC(=N4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCN4C(=O)C=CC(=N4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H23BrN4O2S/c1-18-4-13-24-25(17-18)36-28(31-24)20-7-11-22(12-8-20)30-26(34)3-2-16-33-27(35)15-14-23(32-33)19-5-9-21(29)10-6-19/h4-15,17H,2-3,16H2,1H3,(H,30,34)