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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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