4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H19FN2O3S3 MolecularWeight: 462.580563

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC#C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC#C

InChI

InChI=1S/C21H19FN2O3S3/c1-3-12-24-18-11-8-16(28-2)14-19(18)29-21(24)23-20(25)5-4-13-30(26,27)17-9-6-15(22)7-10-17/h1,6-11,14H,4-5,12-13H2,2H3