4-[4-cyclopropyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[4-cyclopropyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[4-cyclopropyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-cyclopropyl-5-[(3-methyl-5-nitro-4-imidazolyl)thio]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-cyclopropyl-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-cyclopropyl-5-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1,2,4-triazol-3-yl]morpholine Formula: C13H17N7O3S MolecularWeight: 351.38418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NN=C(N2C3CC3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NN=C(N2C3CC3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O3S/c1-17-8-14-10(20(21)22)11(17)24-13-16-15-12(19(13)9-2-3-9)18-4-6-23-7-5-18/h8-9H,2-7H2,1H3