N-[5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H19FN4O4S3 MolecularWeight: 506.593363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O4S3/c22-16-8-6-14(7-9-16)18(27)13-31-21-25-24-20(32-21)23-19(28)15-4-3-5-17(12-15)33(29,30)26-10-1-2-11-26/h3-9,12H,1-2,10-11,13H2,(H,23,24,28)