5-(3-butyl-5-nitro-2-propyl-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(3-butyl-5-nitro-2-propyl-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(3-butyl-5-nitro-2-propyl-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-[(3-butyl-5-nitro-2-propyl-4-imidazolyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(3-butyl-5-nitro-2-propylimidazol-4-yl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-[(3-butyl-5-nitro-2-propyl-imidazol-4-yl)thio]-1H-1,2,4-triazole Formula: C12H18N6O2S MolecularWeight: 310.37532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=C1SC2=NC=NN2)[N+](=O)[O-])CCC

Isomeric SMILES

CCCCN1C(=NC(=C1SC2=NC=NN2)[N+](=O)[O-])CCC

InChI

InChI=1S/C12H18N6O2S/c1-3-5-7-17-9(6-4-2)15-10(18(19)20)11(17)21-12-13-8-14-16-12/h8H,3-7H2,1-2H3,(H,13,14,16)