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

Systemtic Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3S/c1-12-20-21-18(23(12)14-5-3-2-4-6-14)28-11-16-19-17(22-27-16)13-7-9-15(10-8-13)24(25)26/h7-10,14H,2-6,11H2,1H3