5-chloranyl-2-[[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]ethenyl]sulfamoyl]-4-methyl-benzenethiolate

Systemtic Name: 5-chloranyl-2-[[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]ethenyl]sulfamoyl]-4-methyl-benzenethiolate Openeye Name: 5-chloro-2-[[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]vinyl]sulfamoyl]-4-methyl-benzenethiolate CAS Name: 5-chloro-2-[[2,2-dicyano-1-[4-(dimethylamino)-1-pyridin-1-iumyl]ethenyl]sulfamoyl]-4-methylbenzenethiolate IUPAC Name: 5-chloro-2-[[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]ethenyl]sulfamoyl]-4-methylbenzenethiolate Traditional Name: 5-chloro-2-[[2,2-dicyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]vinyl]sulfamoyl]-4-methyl-benzenethiolate Formula: C18H16ClN5O2S2 MolecularWeight: 433.93494

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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