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

Systemtic Name: N,N-diethyl-4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-sulfonamide Openeye Name: N,N-diethyl-4-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-1-piperazinesulfonamide IUPAC Name: N,N-diethyl-4-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-sulfonamide Traditional Name: N,N-diethyl-4-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-sulfonamide Formula: C20H30N6O3S2 MolecularWeight: 466.6206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H30N6O3S2/c1-4-24(5-2)31(28,29)25-13-11-23(12-14-25)18(27)9-10-26-19(21-22-20(26)30)17-8-6-7-16(3)15-17/h6-8,15H,4-5,9-14H2,1-3H3,(H,22,30)