4-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C17H24N6O4S2 MolecularWeight: 440.54026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H24N6O4S2/c1-20(2)29(25,26)22-10-8-21(9-11-22)15(24)12-23-16(18-19-17(23)28)13-4-6-14(27-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,19,28)