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

Systemtic Name: 4-methyl-3-(3-methylphenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(m-tolyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(3-methylphenyl)-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(3-methylphenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(m-tolyl)-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O2S/c1-10-4-3-5-11(6-10)13-16-17-14(18(13)2)23-9-19-8-12(7-15-19)20(21)22/h3-8H,9H2,1-2H3