N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide

Systemtic Name: N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide Openeye Name: N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide CAS Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide IUPAC Name: N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide Traditional Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-mesyl-benzamide Formula: C18H17ClN2O3S3 MolecularWeight: 440.98718

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H17ClN2O3S3/c1-25-10-9-21-15-8-5-13(19)11-16(15)26-18(21)20-17(22)12-3-6-14(7-4-12)27(2,23)24/h3-8,11H,9-10H2,1-2H3