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

Systemtic Name: 2-chloranyl-4-nitro-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]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-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]-2-chloro-4-nitrobenzamide Traditional Name: N-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-chloro-4-nitro-benzamide Formula: C23H17ClN6O5S MolecularWeight: 524.93628

Click to see the large picture

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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN6O5S/c24-20-12-18(30(34)35)10-11-19(20)22(31)25-13-21-26-27-23(36-14-15-4-2-1-3-5-15)28(21)16-6-8-17(9-7-16)29(32)33/h1-12H,13-14H2,(H,25,31)