3-(3-nitrophenyl)-5-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-nitrophenyl)-5-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 3-(3-nitrophenyl)-5-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-nitrophenyl)-5-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O3S/c1-8(2)12-16-14(18-17-12)24-7-11-15-13(19-23-11)9-4-3-5-10(6-9)20(21)22/h3-6,8H,7H2,1-2H3,(H,16,17,18)