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

Systemtic Name: 3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-isopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[(4-nitrophenyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-isopropyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C16H16N4O3S/c1-11(2)19-15(14-4-3-9-23-14)17-18-16(19)24-10-12-5-7-13(8-6-12)20(21)22/h3-9,11H,10H2,1-2H3