2-azanyl-4-[5-(2-nitrophenyl)furan-2-yl]-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[5-(2-nitrophenyl)furan-2-yl]-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-[5-(2-nitrophenyl)-2-furyl]-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-[5-(2-nitrophenyl)-2-furanyl]-6-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[5-(2-nitrophenyl)furan-2-yl]-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-4-[5-(2-nitrophenyl)-2-furyl]pyridin-1-ium-3,5-dicarbonitrile Formula: C31H20N5O4S+ MolecularWeight: 558.5866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])C#N

InChI

InChI=1S/C31H19N5O4S/c32-16-23-29(28-15-14-27(40-28)22-8-4-5-9-25(22)36(38)39)24(17-33)31(35-30(23)34)41-18-26(37)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-15H,18H2,(H2,34,35)/p+1