3-bromanyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3-bromanyl-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-bromo-N-[[4-(4-nitrophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-bromo-N-[[5-[(2-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-bromo-N-[[5-[(2-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-bromo-N-[[5-[(2-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C24H20BrN5O3S MolecularWeight: 538.4163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H20BrN5O3S/c1-16-5-2-3-6-18(16)15-34-24-28-27-22(14-26-23(31)17-7-4-8-19(25)13-17)29(24)20-9-11-21(12-10-20)30(32)33/h2-13H,14-15H2,1H3,(H,26,31)