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

Systemtic Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-nitro-benzamide Openeye Name: N-[1-[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-nitro-benzamide CAS Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-3-nitrobenzamide IUPAC Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-3-nitrobenzamide Traditional Name: N-[1-[5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3-nitro-benzamide Formula: C32H29N5O3S MolecularWeight: 563.66936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C(CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)C(CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H29N5O3S/c1-22-14-16-27(17-15-22)36-30(34-35-32(36)41-21-25-11-6-8-23(2)18-25)29(19-24-9-4-3-5-10-24)33-31(38)26-12-7-13-28(20-26)37(39)40/h3-18,20,29H,19,21H2,1-2H3,(H,33,38)