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

Systemtic Name: 4-methyl-N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C25H23N5O3S MolecularWeight: 473.54682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3S/c1-17-8-12-21(13-9-17)29-23(27-28-25(29)34-16-19-6-4-3-5-7-19)15-26-24(31)20-11-10-18(2)22(14-20)30(32)33/h3-14H,15-16H2,1-2H3,(H,26,31)