2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile Formula: C21H13BrN4O2S MolecularWeight: 465.32252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1=CC(=O)C=CC1=C2C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C21H13BrN4O2S/c22-14-5-1-12(2-6-14)18(28)11-29-21-17(10-24)19(16(9-23)20(25)26-21)13-3-7-15(27)8-4-13/h1-8,26H,11,25H2