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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=NN=C(N2C)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC2=NN=C(N2C)SC)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O2S/c1-6-10-4-8(15(16)17)14(6)5-7-11-12-9(18-3)13(7)2/h4H,5H2,1-3H3