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

Systemtic Name: N,N-dimethyl-4-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-sulfonamide Openeye Name: N,N-dimethyl-4-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-sulfonamide CAS Name: N,N-dimethyl-4-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-1-piperazinesulfonamide IUPAC Name: N,N-dimethyl-4-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-sulfonamide Traditional Name: N,N-dimethyl-4-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-sulfonamide Formula: C18H26N6O3S2 MolecularWeight: 438.56744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H26N6O3S2/c1-14-4-6-15(7-5-14)17-19-20-18(28)24(17)9-8-16(25)22-10-12-23(13-11-22)29(26,27)21(2)3/h4-7H,8-13H2,1-3H3,(H,20,28)