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

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

CC1=C(C=CO1)C2=NN=C(N2C)SC3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SC3=C(N=CN3C)[N+](=O)[O-]

InChI

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