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

Systemtic Name: 4-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: N,N-dimethyl-4-[3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propanoyl]piperazine-1-sulfonamide Formula: C19H28N6O4S2 MolecularWeight: 468.59342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H28N6O4S2/c1-4-29-16-7-5-15(6-8-16)18-20-21-19(30)25(18)10-9-17(26)23-11-13-24(14-12-23)31(27,28)22(2)3/h5-8H,4,9-14H2,1-3H3,(H,21,30)