3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c1-7-12-11(14-13-7)19-6-8-3-4-10(18-2)9(5-8)15(16)17/h3-5H,6H2,1-2H3,(H,12,13,14)