N'-(4-bromophenyl)sulfonyl-N-(2-chloranyl-3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide

Systemtic Name: N'-(4-bromophenyl)sulfonyl-N-(2-chloranyl-3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide Openeye Name: N'-(4-bromophenyl)sulfonyl-N-(2-chloro-3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)benzamidine CAS Name: N'-(4-bromophenyl)sulfonyl-N-(2-chloro-3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)benzenecarboximidamide IUPAC Name: N'-(4-bromophenyl)sulfonyl-N-(2-chloro-3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide Traditional Name: N'-brosyl-N-(2-chloro-4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)benzamidine Formula: C21H16BrClN2O3S MolecularWeight: 491.78534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=NS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=C(C1=O)C)Cl

Isomeric SMILES

CC1=CC(=N/C(=N/S(=O)(=O)C2=CC=C(C=C2)Br)/C3=CC=CC=C3)C(=C(C1=O)C)Cl

InChI

InChI=1S/C21H16BrClN2O3S/c1-13-12-18(19(23)14(2)20(13)26)24-21(15-6-4-3-5-7-15)25-29(27,28)17-10-8-16(22)9-11-17/h3-12H,1-2H3/b24-18?,25-21+