3,6-bis(azanyl)-5-cyano-4-(3-methylthiophen-2-yl)thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-5-cyano-4-(3-methylthiophen-2-yl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-4-(3-methyl-2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-4-(3-methyl-2-thiophenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-4-(3-methylthiophen-2-yl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-4-(3-methyl-2-thienyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C14H12N5OS2+ MolecularWeight: 330.40798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N

Isomeric SMILES

CC1=C(SC=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)N)N)N)C#N

InChI

InChI=1S/C14H11N5OS2/c1-5-2-3-21-10(5)7-6(4-15)12(17)19-14-8(7)9(16)11(22-14)13(18)20/h2-3H,16H2,1H3,(H2,17,19)(H2,18,20)/p+1