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

Systemtic Name: 4-ethyl-3-(furan-2-yl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-furyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole CAS Name: 4-ethyl-3-(2-furanyl)-5-[(3-methyl-5-nitro-4-imidazolyl)thio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(furan-2-yl)-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-furyl)-5-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1,2,4-triazole Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(N=CN2C)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SC2=C(N=CN2C)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C12H12N6O3S/c1-3-17-9(8-5-4-6-21-8)14-15-12(17)22-11-10(18(19)20)13-7-16(11)2/h4-7H,3H2,1-2H3