4-methyl-3-(2-methylpropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-methylpropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-isobutyl-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(2-methylpropyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylpropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-isobutyl-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(N1C)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2S/c1-10(2)8-13-15-16-14(17(13)3)21-9-11-4-6-12(7-5-11)18(19)20/h4-7,10H,8-9H2,1-3H3