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

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

Systemtic Name:4-bromanyl-N-[[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide
Openeye Name:N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-bromo-benzamide
CAS Name:4-bromo-N-[[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]benzamide
IUPAC Name:N-[[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-bromobenzamide
Traditional Name:N-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-bromo-benzamide
Formula: C23H18BrN5O3S
MolecularWeight: 524.38972
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)C4=CC=C(C=C4)Br


Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)C4=CC=C(C=C4)Br


InChI

InChI=1S/C23H18BrN5O3S/c24-18-8-6-17(7-9-18)22(30)25-14-21-26-27-23(33-15-16-4-2-1-3-5-16)28(21)19-10-12-20(13-11-19)29(31)32/h1-13H,14-15H2,(H,25,30)


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