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

Systemtic Name: 3,6-bis(azanyl)-2-(4-nitrophenyl)carbonyl-4-phenyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-nitrobenzoyl)-4-phenyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-nitrophenyl)-oxomethyl]-4-phenyl-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-nitrobenzoyl)-4-phenyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C21H14N5O3S+ MolecularWeight: 416.43256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])N)N)C#N

InChI

InChI=1S/C21H13N5O3S/c22-10-14-15(11-4-2-1-3-5-11)16-17(23)19(30-21(16)25-20(14)24)18(27)12-6-8-13(9-7-12)26(28)29/h1-9H,23H2,(H2,24,25)/p+1