4-[N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylamino]-C-ethyl-carbonimidoyl]phenolate

Systemtic Name: 4-[N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylamino]-C-ethyl-carbonimidoyl]phenolate Openeye Name: 4-[N-[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]-C-ethyl-carbonimidoyl]phenolate CAS Name: 4-[1-[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]propyl]phenolate IUPAC Name: 4-[N-[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]-C-ethylcarbonimidoyl]phenolate Traditional Name: 4-[N-[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]amino]-C-ethyl-carbonimidoyl]phenolate Formula: C25H22ClN5O2S MolecularWeight: 491.99248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)CSC1=NNC(=[N+]1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[O-]

Isomeric SMILES

CCC(=NNC(=O)CSC1=NNC(=[N+]1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[O-]

InChI

InChI=1S/C25H22ClN5O2S/c1-2-22(17-10-14-21(32)15-11-17)27-28-23(33)16-34-25-30-29-24(18-8-12-19(26)13-9-18)31(25)20-6-4-3-5-7-20/h3-15H,2,16H2,1H3,(H2,27,28,32,33)