3-methyl-N-[[5-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline

Systemtic Name: 3-methyl-N-[[5-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 3-methyl-N-[[5-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 3-methyl-N-[[5-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 3-methyl-N-[[5-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: m-tolyl-[[5-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]amine Formula: C24H21N7O2S MolecularWeight: 471.53424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H21N7O2S/c1-16-6-5-7-17(12-16)25-14-23-28-29-24(30(23)18-8-3-2-4-9-18)34-15-22-26-20-11-10-19(31(32)33)13-21(20)27-22/h2-13,25H,14-15H2,1H3,(H,26,27)