4-methyl-3-[(1-methylpyrrol-2-yl)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(1-methylpyrrol-2-yl)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(1-methylpyrrol-2-yl)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-[(1-methyl-2-pyrrolyl)methyl]-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(1-methylpyrrol-2-yl)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(1-methylpyrrol-2-yl)methyl]-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C13H15N7O2S MolecularWeight: 333.3689

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O2S/c1-17-5-3-4-10(17)6-12-15-16-13(18(12)2)23-9-19-8-11(7-14-19)20(21)22/h3-5,7-8H,6,9H2,1-2H3