5-chloranyl-2-[[(E)-2-cyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-3-phenyl-prop-1-enyl]sulfamoyl]-4-methyl-benzenethiolate

Systemtic Name: 5-chloranyl-2-[[(E)-2-cyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-3-phenyl-prop-1-enyl]sulfamoyl]-4-methyl-benzenethiolate Openeye Name: 5-chloro-2-[[(E)-2-cyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-3-phenyl-prop-1-enyl]sulfamoyl]-4-methyl-benzenethiolate CAS Name: 5-chloro-2-[[(E)-2-cyano-1-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-oxo-3-phenylprop-1-enyl]sulfamoyl]-4-methylbenzenethiolate IUPAC Name: 5-chloro-2-[[(E)-2-cyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-3-phenylprop-1-enyl]sulfamoyl]-4-methylbenzenethiolate Traditional Name: 5-chloro-2-[[(E)-2-cyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-keto-3-phenyl-prop-1-enyl]sulfamoyl]-4-methyl-benzenethiolate Formula: C24H21ClN4O3S2 MolecularWeight: 513.03154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)NC(=C(C#N)C(=O)C2=CC=CC=C2)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)N/C(=C(\C#N)/C(=O)C2=CC=CC=C2)/[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C24H21ClN4O3S2/c1-16-13-22(21(33)14-20(16)25)34(31,32)27-24(29-11-9-18(10-12-29)28(2)3)19(15-26)23(30)17-7-5-4-6-8-17/h4-14H,1-3H3,(H-,27,30,33)