4-chloranyl-N-[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]ethenyl]-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]ethenyl]-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-N-[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]vinyl]-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-N-[2,2-dicyano-1-[4-(dimethylamino)-1-pyridin-1-iumyl]ethenyl]-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: 4-chloro-N-[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]ethenyl]-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: 4-chloro-N-[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]vinyl]-2-mercapto-5-methyl-benzenesulfonamide Formula: C18H17ClN5O2S2+ MolecularWeight: 434.94288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=C(C#N)C#N)[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=C(C#N)C#N)[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H16ClN5O2S2/c1-12-8-17(16(27)9-15(12)19)28(25,26)22-18(13(10-20)11-21)24-6-4-14(5-7-24)23(2)3/h4-9,22H,1-3H3/p+1