2-azanyl-4-[5-(2-nitrophenyl)furan-2-yl]-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[5-(2-nitrophenyl)furan-2-yl]-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)-2-furyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[5-(2-nitrophenyl)-2-furanyl]-6-(phenylmethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-[5-(2-nitrophenyl)-2-furyl]pyridin-1-ium-3,5-dicarbonitrile Formula: C24H16N5O3S+ MolecularWeight: 454.48054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C#N

InChI

InChI=1S/C24H15N5O3S/c25-12-17-22(21-11-10-20(32-21)16-8-4-5-9-19(16)29(30)31)18(13-26)24(28-23(17)27)33-14-15-6-2-1-3-7-15/h1-11H,14H2,(H2,27,28)/p+1