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

Systemtic Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-nitrophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-nitrobenzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O2S2/c1-2-18-14(13-7-4-8-22-13)16-17-15(18)23-10-11-5-3-6-12(9-11)19(20)21/h3-9H,2,10H2,1H3