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

Systemtic Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(2-methyl-3-nitrophenyl)methylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(2-methyl-3-nitro-benzyl)thio]-5-propyl-1H-1,2,4-triazole Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H16N4O2S/c1-3-5-12-14-13(16-15-12)20-8-10-6-4-7-11(9(10)2)17(18)19/h4,6-7H,3,5,8H2,1-2H3,(H,14,15,16)