2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-(5-methylthiazol-2-yl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-(5-methyl-2-thiazolyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-(5-methylthiazol-2-yl)acetamide Formula: C17H13N6OS3+ MolecularWeight: 413.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

CC1=CN=C(S1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C17H12N6OS3/c1-9-7-21-17(27-9)22-13(24)8-26-16-11(6-19)14(12-3-2-4-25-12)10(5-18)15(20)23-16/h2-4,7H,8H2,1H3,(H2,20,23)(H,21,22,24)/p+1