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

Systemtic Name: 3-methyl-N-[[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methyl-N-[[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methyl-N-[[4-methyl-5-[(2-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[4-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-methyl-N-[[4-methyl-5-[(2-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-13-6-5-8-14(10-13)18(25)20-11-17-21-22-19(23(17)2)28-12-15-7-3-4-9-16(15)24(26)27/h3-10H,11-12H2,1-2H3,(H,20,25)