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

Systemtic Name: 3,6-bis(azanyl)-4-ethyl-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-4-ethyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-4-ethyl-2-[(4-methylphenyl)-oxomethyl]-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-4-ethyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-4-ethyl-2-p-toluoyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C18H17N4OS+ MolecularWeight: 337.41878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)C)N)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)C)N)N)C#N

InChI

InChI=1S/C18H16N4OS/c1-3-11-12(8-19)17(21)22-18-13(11)14(20)16(24-18)15(23)10-6-4-9(2)5-7-10/h4-7H,3,20H2,1-2H3,(H2,21,22)/p+1