N-[1-[3-(dicyanomethylidene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]thiophene-2-carboximidate

Systemtic Name: N-[1-[3-(dicyanomethylidene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]thiophene-2-carboximidate Openeye Name: N-[1-[3-(dicyanomethylene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]thiophene-2-carboximidate CAS Name: N-[1-[3-(dicyanomethylidene)-4H-quinoxalin-2-yl]-3-pyridin-1-iumyl]-2-thiophenecarboximidate IUPAC Name: N-[1-[3-(dicyanomethylidene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]thiophene-2-carboximidate Traditional Name: N-[1-[3-(dicyanomethylene)-4H-quinoxalin-2-yl]pyridin-1-ium-3-yl]thiophene-2-carboximidate Formula: C21H12N6OS MolecularWeight: 396.42458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C#N)C(=N2)[N+]3=CC=CC(=C3)N=C(C4=CC=CS4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C#N)C(=N2)[N+]3=CC=CC(=C3)N=C(C4=CC=CS4)[O-]

InChI

InChI=1S/C21H12N6OS/c22-11-14(12-23)19-20(26-17-7-2-1-6-16(17)25-19)27-9-3-5-15(13-27)24-21(28)18-8-4-10-29-18/h1-10,13,25H