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

Systemtic Name: 3,6-bis(azanyl)-N-(3-chloranyl-4-methyl-phenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-N-(3-chloro-4-methyl-phenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-N-(3-chloro-4-methylphenyl)-5-cyano-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-N-(3-chloro-4-methylphenyl)-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-N-(3-chloro-4-methyl-phenyl)-5-cyano-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C16H13ClN5OS+ MolecularWeight: 358.82532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5OS/c1-7-2-3-9(5-11(7)17)21-15(23)13-12(19)10-4-8(6-18)14(20)22-16(10)24-13/h2-5H,19H2,1H3,(H2,20,22)(H,21,23)/p+1