N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[3-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[3-(6-pyrrolidinopyridazin-3-yl)phenyl]piazthiole-5-carboxamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H18N6OS/c28-21(15-6-7-18-19(13-15)26-29-25-18)22-16-5-3-4-14(12-16)17-8-9-20(24-23-17)27-10-1-2-11-27/h3-9,12-13H,1-2,10-11H2,(H,22,28)