3,6-bis(azanyl)-4-methylsulfanyl-2-(phenylcarbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-4-methylsulfanyl-2-(phenylcarbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-benzoyl-4-methylsulfanyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-benzoyl-4-(methylthio)-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-benzoyl-4-methylsulfanylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-benzoyl-4-(methylthio)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C16H13N4OS2+ MolecularWeight: 341.43062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=CC=C3)N)N)C#N

Isomeric SMILES

CSC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=CC=C3)N)N)C#N

InChI

InChI=1S/C16H12N4OS2/c1-22-13-9(7-17)15(19)20-16-10(13)11(18)14(23-16)12(21)8-5-3-2-4-6-8/h2-6H,18H2,1H3,(H2,19,20)/p+1