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

Systemtic Name: 3-methyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methyl-N-[[5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-methyl-N-[[5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O3S/c1-17-6-5-7-19(14-17)23(30)25-15-22-26-27-24(28(22)20-8-3-2-4-9-20)33-16-18-10-12-21(13-11-18)29(31)32/h2-14H,15-16H2,1H3,(H,25,30)