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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NNC(=N2)CCC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NNC(=N2)CCC3CCCC3)[N+](=O)[O-]

InChI

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