3,6-bis(azanyl)-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2,5-dicarbonitrile

Systemtic Name: 3,6-bis(azanyl)-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2,5-dicarbonitrile Openeye Name: 3,6-diamino-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2,5-dicarbonitrile CAS Name: 3,6-diamino-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2,5-dicarbonitrile IUPAC Name: 3,6-diamino-4-(4-ethoxyphenyl)thieno[2,3-b]pyridin-7-ium-2,5-dicarbonitrile Traditional Name: 3,6-diamino-4-p-phenetyl-thieno[2,3-b]pyridin-7-ium-2,5-dicarbonitrile Formula: C17H14N5OS+ MolecularWeight: 336.39096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C#N)N)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C#N)N)N)C#N

InChI

InChI=1S/C17H13N5OS/c1-2-23-10-5-3-9(4-6-10)13-11(7-18)16(21)22-17-14(13)15(20)12(8-19)24-17/h3-6H,2,20H2,1H3,(H2,21,22)/p+1