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

Systemtic Name: 3-(furan-2-yl)-4-(2-methylpropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-isobutyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-(2-methylpropyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-4-(2-methylpropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-isobutyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C17H18N4O3S/c1-12(2)10-20-16(15-4-3-9-24-15)18-19-17(20)25-11-13-5-7-14(8-6-13)21(22)23/h3-9,12H,10-11H2,1-2H3