[4-[(Z)-C-methyl-N-[2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]carbonimidoyl]phenyl] ethanoate

Systemtic Name: [4-[(Z)-C-methyl-N-[2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]carbonimidoyl]phenyl] ethanoate Openeye Name: [4-[(Z)-C-methyl-N-[[2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]carbonimidoyl]phenyl] acetate CAS Name: acetic acid [4-[(1Z)-1-[[2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(Z)-C-methyl-N-[[2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]carbonimidoyl]phenyl] acetate Traditional Name: acetic acid [4-[(Z)-C-methyl-N-[[2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]carbonimidoyl]phenyl] ester Formula: C27H25N5O3S MolecularWeight: 499.5841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=C(C)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C(/C)\C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C27H25N5O3S/c1-18-9-11-22(12-10-18)26-30-31-27(32(26)23-7-5-4-6-8-23)36-17-25(34)29-28-19(2)21-13-15-24(16-14-21)35-20(3)33/h4-16H,17H2,1-3H3,(H,29,34)/b28-19-