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

Systemtic Name: 2-azanyl-6-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-4-isopropyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-4-isopropyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C18H15Cl2N4OS+ MolecularWeight: 406.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC(=C(C=C2)Cl)Cl)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC(=C(C=C2)Cl)Cl)N)C#N

InChI

InChI=1S/C18H14Cl2N4OS/c1-9(2)16-11(6-21)17(23)24-18(12(16)7-22)26-8-15(25)10-3-4-13(19)14(20)5-10/h3-5,9H,8H2,1-2H3,(H2,23,24)/p+1