N-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboximidamide

Systemtic Name: N-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboximidamide Openeye Name: N-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboxamidine CAS Name: N-(4-chloro-2-mercapto-5-methylphenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)-1-pyridin-1-iumcarboximidamide IUPAC Name: N-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboximidamide Traditional Name: N-(4-chloro-2-mercapto-5-methyl-phenyl)sulfonyl-N'-(4-chlorophenyl)sulfonyl-4-(dimethylamino)pyridin-1-ium-1-carboxamidine Formula: C21H21Cl2N4O4S3+ MolecularWeight: 560.51684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N4O4S3/c1-14-12-20(19(32)13-18(14)23)34(30,31)25-21(27-10-8-16(9-11-27)26(2)3)24-33(28,29)17-6-4-15(22)5-7-17/h4-13H,1-3H3,(H-,24,25,32)/p+1