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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C20H22N6OS/c1-14-19(28-25-22-14)20(27)21-16-8-6-7-15(13-16)17-9-10-18(24-23-17)26-11-4-2-3-5-12-26/h6-10,13H,2-5,11-12H2,1H3,(H,21,27)