3-butyl-4-[(4-nitrophenyl)methyl]-5-phenethylsulfanyl-1,2,4-triazole

Systemtic Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 3-butyl-4-[(4-nitrophenyl)methyl]-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 3-butyl-4-(4-nitrobenzyl)-5-(phenethylthio)-1,2,4-triazole Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-2-3-9-20-22-23-21(28-15-14-17-7-5-4-6-8-17)24(20)16-18-10-12-19(13-11-18)25(26)27/h4-8,10-13H,2-3,9,14-16H2,1H3