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

Systemtic Name: 4-methyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-methyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-methyl-N-[[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-methyl-N-[[4-methyl-5-[(4-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=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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