4-(4-fluorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]butyramide Formula: C20H20FN3O5S3 MolecularWeight: 497.583303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O5S3/c1-30-11-10-23-17-9-6-15(24(26)27)13-18(17)31-20(23)22-19(25)3-2-12-32(28,29)16-7-4-14(21)5-8-16/h4-9,13H,2-3,10-12H2,1H3