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

Systemtic Name: 3-(3-nitrophenyl)-5-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 3-(3-nitrophenyl)-5-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-nitrophenyl)-5-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-[[(4-isopropyl-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)N1C=NN=C1SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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