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

Systemtic Name: 4-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(2-methyl-3-nitrophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(2-methyl-3-nitro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CS3

InChI

InChI=1S/C16H16N4O2S2/c1-3-19-15(14-8-5-9-23-14)17-18-16(19)24-10-12-6-4-7-13(11(12)2)20(21)22/h4-9H,3,10H2,1-2H3