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

Systemtic Name: 2-[6-azanyl-4-(2-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[6-amino-4-(2-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanyl-N-thiazol-2-yl-acetamide CAS Name: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridin-1-iumyl]thio]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-1-ium-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-pyridin-1-ium-2-yl]thio]-N-thiazol-2-yl-acetamide Formula: C18H12ClN6OS2+ MolecularWeight: 427.91048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=NC=CS3)N)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=NC=CS3)N)C#N)Cl

InChI

InChI=1S/C18H11ClN6OS2/c19-13-4-2-1-3-10(13)15-11(7-20)16(22)25-17(12(15)8-21)28-9-14(26)24-18-23-5-6-27-18/h1-6H,9H2,(H2,22,25)(H,23,24,26)/p+1