2-(1-adamantylcarbonyl)-3,6-bis(azanyl)-4-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 2-(1-adamantylcarbonyl)-3,6-bis(azanyl)-4-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 2-(adamantane-1-carbonyl)-3,6-diamino-4-(2-thienyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 2-[1-adamantyl(oxo)methyl]-3,6-diamino-4-thiophen-2-yl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 2-(adamantane-1-carbonyl)-3,6-diamino-4-thiophen-2-ylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 2-(adamantane-1-carbonyl)-3,6-diamino-4-(2-thienyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C23H23N4OS2+ MolecularWeight: 435.58492

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C5=C(S4)[NH+]=C(C(=C5C6=CC=CS6)C#N)N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C5=C(S4)[NH+]=C(C(=C5C6=CC=CS6)C#N)N)N

InChI

InChI=1S/C23H22N4OS2/c24-10-14-16(15-2-1-3-29-15)17-18(25)19(30-22(17)27-21(14)26)20(28)23-7-11-4-12(8-23)6-13(5-11)9-23/h1-3,11-13H,4-9,25H2,(H2,26,27)/p+1