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

Systemtic Name: 3,6-bis(azanyl)-4-methyl-2-(phenylcarbonyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-benzoyl-4-methyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-benzoyl-4-methyl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-benzoyl-4-methyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C16H13N4OS+ MolecularWeight: 309.36562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=CC=C3)N)N)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=CC=C3)N)N)C#N

InChI

InChI=1S/C16H12N4OS/c1-8-10(7-17)15(19)20-16-11(8)12(18)14(22-16)13(21)9-5-3-2-4-6-9/h2-6H,18H2,1H3,(H2,19,20)/p+1