4-methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[[3-methyl-5-nitro-2-(4-nitrophenyl)-4-imidazolyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole Traditional Name: 4-methyl-3-[[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]thio]-1,2,4-triazole Formula: C13H11N7O4S MolecularWeight: 361.33594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(N=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(N=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N7O4S/c1-17-7-14-16-13(17)25-12-11(20(23)24)15-10(18(12)2)8-3-5-9(6-4-8)19(21)22/h3-7H,1-2H3