2-chloranyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide CAS Name: 2-chloro-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide Traditional Name: 2-chloro-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Formula: C18H16ClN3O5S3 MolecularWeight: 485.98474

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O5S3/c1-28-8-7-21-15-6-4-12(30(2,26)27)10-16(15)29-18(21)20-17(23)13-9-11(22(24)25)3-5-14(13)19/h3-6,9-10H,7-8H2,1-2H3