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

Systemtic Name: 4-chloranyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-chloro-N-[[5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C23H18ClN5O3S MolecularWeight: 479.93872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN5O3S/c24-18-10-8-17(9-11-18)22(30)25-14-21-26-27-23(28(21)19-4-2-1-3-5-19)33-15-16-6-12-20(13-7-16)29(31)32/h1-13H,14-15H2,(H,25,30)