N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-propyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-propyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-propyl-thiadiazole-5-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-propyl-5-thiadiazolecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-propylthiadiazole-5-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-propyl-thiadiazole-5-carboxamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCCC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C22H26N6OS/c1-2-8-19-21(30-27-25-19)22(29)23-17-10-7-9-16(15-17)18-11-12-20(26-24-18)28-13-5-3-4-6-14-28/h7,9-12,15H,2-6,8,13-14H2,1H3,(H,23,29)