2,6-dimethyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline

Systemtic Name: 2,6-dimethyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 2,6-dimethyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 2,6-dimethyl-N-[[5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 2,6-dimethyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (2,6-dimethylphenyl)-[[5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]amine Formula: C24H23N5O2S MolecularWeight: 445.53672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O2S/c1-17-7-6-8-18(2)23(17)25-15-22-26-27-24(28(22)20-9-4-3-5-10-20)32-16-19-11-13-21(14-12-19)29(30)31/h3-14,25H,15-16H2,1-2H3