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

Systemtic Name: 2-methoxy-4-[C-methyl-N-[2-[[5-(4-methylphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylamino]carbonimidoyl]phenolate Openeye Name: 2-methoxy-4-[C-methyl-N-[[2-[[4-phenyl-5-(p-tolyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]carbonimidoyl]phenolate CAS Name: 2-methoxy-4-[1-[[2-[[5-(4-methylphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 2-methoxy-4-[C-methyl-N-[[2-[[5-(4-methylphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]carbonimidoyl]phenolate Traditional Name: 2-methoxy-4-[C-methyl-N-[[2-[[4-phenyl-5-(p-tolyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]amino]carbonimidoyl]phenolate Formula: C26H25N5O3S MolecularWeight: 487.5734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)NN=C(C)C3=CC(=C(C=C3)[O-])OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)NN=C(C)C3=CC(=C(C=C3)[O-])OC)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O3S/c1-17-9-11-19(12-10-17)25-29-30-26(31(25)21-7-5-4-6-8-21)35-16-24(33)28-27-18(2)20-13-14-22(32)23(15-20)34-3/h4-15H,16H2,1-3H3,(H2,27,28,32,33)