3,6-bis(azanyl)-2-(3,4-dichlorophenyl)carbonyl-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7H-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(3,4-dichlorophenyl)carbonyl-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7H-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3,6-diamino-2-(3,4-dichlorobenzoyl)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-7H-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3,6-diamino-2-[(3,4-dichlorophenyl)-oxomethyl]-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-7H-thieno[2,3-b]pyridine-5-carbonitrile IUPAC Name: 3,6-diamino-2-(3,4-dichlorobenzoyl)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-7H-thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3,6-diamino-2-(3,4-dichlorobenzoyl)-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-7H-thieno[2,3-b]pyridine-5-carbonitrile Formula: C21H12Cl2N4O2S MolecularWeight: 455.31658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C(=C(NC3=C2C(=C(S3)C(=O)C4=CC(=C(C=C4)Cl)Cl)N)N)C#N

Isomeric SMILES

C1=CC(=O)C=CC1=C2C(=C(NC3=C2C(=C(S3)C(=O)C4=CC(=C(C=C4)Cl)Cl)N)N)C#N

InChI

InChI=1S/C21H12Cl2N4O2S/c22-13-6-3-10(7-14(13)23)18(29)19-17(25)16-15(9-1-4-11(28)5-2-9)12(8-24)20(26)27-21(16)30-19/h1-7,27H,25-26H2