6-azanyl-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-phenyl-pyridin-1-ium-3-carbonitrile Formula: C20H15ClN3OS+ MolecularWeight: 380.8706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H14ClN3OS/c21-15-8-6-14(7-9-15)18(25)12-26-20-17(11-22)16(10-19(23)24-20)13-4-2-1-3-5-13/h1-10H,12H2,(H2,23,24)/p+1