N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-6-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-6-keto-pyridazine-3-carboxamide Formula: C22H17BrN4O3S MolecularWeight: 497.36438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C22H17BrN4O3S/c1-30-19-9-7-15(11-16(19)23)18-13-31-22(24-18)25-21(29)17-8-10-20(28)27(26-17)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,24,25,29)