2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide Formula: C18H15N6OS2+ MolecularWeight: 395.4813

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C18H14N6OS2/c1-24(9-15-22-13-4-2-3-5-14(13)27-15)16(25)10-26-18-12(8-20)6-11(7-19)17(21)23-18/h2-6H,9-10H2,1H3,(H2,21,23)/p+1