3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-methylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-mesylpiperazino)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H23N5O4S2/c1-26-14-5-3-13(4-6-14)16-18-19-17(27)22(16)8-7-15(23)20-9-11-21(12-10-20)28(2,24)25/h3-6H,7-12H2,1-2H3,(H,19,27)