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

Systemtic Name: 4-methyl-3-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]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-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]-4-methyl-3-nitrobenzamide Traditional Name: N-[[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C24H20N6O5S MolecularWeight: 504.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O5S/c1-16-7-8-18(13-21(16)30(34)35)23(31)25-14-22-26-27-24(36-15-17-5-3-2-4-6-17)28(22)19-9-11-20(12-10-19)29(32)33/h2-13H,14-15H2,1H3,(H,25,31)