6-methyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C28H24N3OS2+ MolecularWeight: 482.63966

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C#N)C5=CC=CS5

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C#N)C5=CC=CS5

InChI

InChI=1S/C28H23N3OS2/c1-31-14-13-24-23(17-31)27(26-8-5-15-33-26)22(16-29)28(30-24)34-18-25(32)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-12,15H,13-14,17-18H2,1H3/p+1