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

Systemtic Name: 2-bromanyl-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 2-bromo-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 2-bromo-N-[1-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-bromo-N-[1-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 2-bromo-N-[1-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H18BrN5O3S/c1-12(21-18(26)15-5-3-4-6-16(15)20)17-22-23-19(24(17)2)29-11-13-7-9-14(10-8-13)25(27)28/h3-10,12H,11H2,1-2H3,(H,21,26)