2-[[5-[[(2,6-dimethylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-[[(2,6-dimethylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C26H26N6O3S MolecularWeight: 502.58804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O3S/c1-17-12-13-20(14-22(17)32(34)35)28-24(33)16-36-26-30-29-23(31(26)21-10-5-4-6-11-21)15-27-25-18(2)8-7-9-19(25)3/h4-14,27H,15-16H2,1-3H3,(H,28,33)