N-[6-[2-(azepan-1-ium-1-yl)ethylsulfanyl]pyridazin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[2-(azepan-1-ium-1-yl)ethylsulfanyl]pyridazin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[2-(azepan-1-ium-1-yl)ethylsulfanyl]pyridazin-3-yl]thiophene-2-carboxamide CAS Name: N-[6-[2-(1-azepan-1-iumyl)ethylthio]-3-pyridazinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[2-(azepan-1-ium-1-yl)ethylsulfanyl]pyridazin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[2-(azepan-1-ium-1-yl)ethylthio]pyridazin-3-yl]thiophene-2-carboxamide Formula: C17H23N4OS2+ MolecularWeight: 363.52072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)CCSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N4OS2/c22-17(14-6-5-12-23-14)18-15-7-8-16(20-19-15)24-13-11-21-9-3-1-2-4-10-21/h5-8,12H,1-4,9-11,13H2,(H,18,19,22)/p+1