4-cyclohexyl-3-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole CAS Name: 4-cyclohexyl-3-methyl-5-[(3-methyl-5-nitro-4-imidazolyl)thio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-methyl-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-methyl-5-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1,2,4-triazole Formula: C13H18N6O2S MolecularWeight: 322.38602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O2S/c1-9-15-16-13(18(9)10-6-4-3-5-7-10)22-12-11(19(20)21)14-8-17(12)2/h8,10H,3-7H2,1-2H3