3-(1-benzofuran-2-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C18H14N4O3S/c1-21-17(16-10-13-4-2-3-5-15(13)25-16)19-20-18(21)26-11-12-6-8-14(9-7-12)22(23)24/h2-10H,11H2,1H3