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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(2,4-dimethylphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C17H16N5OS+ MolecularWeight: 338.40684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)C

InChI

InChI=1S/C17H15N5OS/c1-8-3-4-12(9(2)5-8)21-16(23)14-13(19)11-6-10(7-18)15(20)22-17(11)24-14/h3-6H,19H2,1-2H3,(H2,20,22)(H,21,23)/p+1