N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C24H20BrN5O3S MolecularWeight: 538.4163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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