(NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-4-chloranyl-3-methyl-benzenesulfonamide

Systemtic Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-4-chloranyl-3-methyl-benzenesulfonamide Openeye Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-4-chloro-3-methyl-benzenesulfonamide CAS Name: (NE)-N-[3-(1,3-benzothiazol-2-ylthio)-4-oxo-1-cyclohexa-2,5-dienylidene]-4-chloro-3-methylbenzenesulfonamide IUPAC Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-4-chloro-3-methylbenzenesulfonamide Traditional Name: (NE)-N-[3-(1,3-benzothiazol-2-ylthio)-4-keto-cyclohexa-2,5-dien-1-ylidene]-4-chloro-3-methyl-benzenesulfonamide Formula: C20H13ClN2O3S3 MolecularWeight: 460.97682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N=C2C=CC(=O)C(=C2)SC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)/N=C/2\C=CC(=O)C(=C2)SC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H13ClN2O3S3/c1-12-10-14(7-8-15(12)21)29(25,26)23-13-6-9-17(24)19(11-13)28-20-22-16-4-2-3-5-18(16)27-20/h2-11H,1H3/b23-13+