4-[[4-(4-methylphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[4-(4-methylphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(2-nitrophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(4-methylphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(4-methylphenyl)-5-(2-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[5-(2-nitrophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C23H19N5O3S MolecularWeight: 445.49366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3S/c1-15-6-12-18(13-7-15)27-22(19-4-2-3-5-20(19)28(30)31)25-26-23(27)32-14-16-8-10-17(11-9-16)21(24)29/h2-13H,14H2,1H3,(H2,24,29)