N,N-diethyl-3-[1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[1-[(4-ethyl-1-piperazin-4-iumyl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C25H35N6O2S2+ MolecularWeight: 515.7144

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N(CC)CC)C4=CC=CC=C4

InChI

InChI=1S/C25H34N6O2S2/c1-4-27-15-17-28(18-16-27)20-30-25(34)31(22-12-8-7-9-13-22)24(26-30)21-11-10-14-23(19-21)35(32,33)29(5-2)6-3/h7-14,19H,4-6,15-18,20H2,1-3H3/p+1