2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[4-(azepan-1-yl)phenyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[4-(azepan-1-yl)phenyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[4-(azepan-1-yl)phenyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[4-(1-azepanyl)phenyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[4-(azepan-1-yl)phenyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C21H23N6OS+ MolecularWeight: 407.51192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C21H22N6OS/c22-12-15-11-16(13-23)21(26-20(15)24)29-14-19(28)25-17-5-7-18(8-6-17)27-9-3-1-2-4-10-27/h5-8,11H,1-4,9-10,14H2,(H2,24,26)(H,25,28)/p+1