1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-[4-(2-fluorophenyl)sulfonylpiperazino]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C19H20FN5O3S3 MolecularWeight: 481.587203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=NNC2=S)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=NNC2=S)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C19H20FN5O3S3/c20-14-4-1-2-6-16(14)31(27,28)24-11-9-23(10-12-24)17(26)7-8-25-18(21-22-19(25)29)15-5-3-13-30-15/h1-6,13H,7-12H2,(H,22,29)