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

Systemtic Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-propyl-1H-1,2,4-triazole Openeye Name: 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(3-methyl-5-nitro-4-imidazolyl)thio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)thio]-5-propyl-1H-1,2,4-triazole Formula: C9H12N6O2S MolecularWeight: 268.29558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(N=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O2S/c1-3-4-6-11-9(13-12-6)18-8-7(15(16)17)10-5-14(8)2/h5H,3-4H2,1-2H3,(H,11,12,13)