N-[5-[1-(4-chlorophenyl)-5-cyano-4-methyl-6-oxidanylidene-pyridazin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: N-[5-[1-(4-chlorophenyl)-5-cyano-4-methyl-6-oxidanylidene-pyridazin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[1-(4-chlorophenyl)-5-cyano-4-methyl-6-oxo-pyridazin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[1-(4-chlorophenyl)-5-cyano-4-methyl-6-oxo-3-pyridazinyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-[1-(4-chlorophenyl)-5-cyano-4-methyl-6-oxopyridazin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[1-(4-chlorophenyl)-5-cyano-6-keto-4-methyl-pyridazin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H13ClN6O2S MolecularWeight: 448.88492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=NN=C(S2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=NN=C(S2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H13ClN6O2S/c1-12-16(11-23)20(30)28(15-9-7-14(22)8-10-15)27-17(12)19-25-26-21(31-19)24-18(29)13-5-3-2-4-6-13/h2-10H,1H3,(H,24,26,29)