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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-4-(3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C22H19BrN3OS2+ MolecularWeight: 485.43976

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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)Br)C#N)C4=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3OS2/c1-26-8-6-19-18(11-26)21(15-7-9-28-12-15)17(10-24)22(25-19)29-13-20(27)14-2-4-16(23)5-3-14/h2-5,7,9,12H,6,8,11,13H2,1H3/p+1