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

Systemtic Name: 3-(furan-2-yl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-isobutyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-isobutyl-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC(C)C)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC(C)C)C3=CC=CO3

InChI

InChI=1S/C18H20N4O3S/c1-12(2)10-21-17(16-8-5-9-25-16)19-20-18(21)26-11-14-6-4-7-15(13(14)3)22(23)24/h4-9,12H,10-11H2,1-3H3