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

Systemtic Name: 3,6-bis(azanyl)-2-(4-methylphenyl)carbonyl-4-thiophen-2-yl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-methylbenzoyl)-4-(2-thienyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-methylphenyl)-oxomethyl]-4-thiophen-2-yl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-methylbenzoyl)-4-thiophen-2-ylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-p-toluoyl-4-(2-thienyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C20H15N4OS2+ MolecularWeight: 391.4893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3C4=CC=CS4)C#N)N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3C4=CC=CS4)C#N)N)N

InChI

InChI=1S/C20H14N4OS2/c1-10-4-6-11(7-5-10)17(25)18-16(22)15-14(13-3-2-8-26-13)12(9-21)19(23)24-20(15)27-18/h2-8H,22H2,1H3,(H2,23,24)/p+1