N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[6-(3,4,5-trimethyl-1-pyrazolyl)-3-pyridazinyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]thiophene-2-carboxamide Formula: C21H20N6OS MolecularWeight: 404.4881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NN=C(C=C2)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NN=C(C=C2)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4)C

InChI

InChI=1S/C21H20N6OS/c1-13-14(2)26-27(15(13)3)20-11-10-19(24-25-20)22-16-6-8-17(9-7-16)23-21(28)18-5-4-12-29-18/h4-12H,1-3H3,(H,22,24)(H,23,28)