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

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[(3-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-5-[(3-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[(3-nitrophenyl)methylthio]-4-propyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-[(3-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-5-[(3-nitrobenzyl)thio]-4-propyl-1,2,4-triazole Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O3S/c1-2-10-23-19(18-12-15-7-3-4-9-17(15)27-18)21-22-20(23)28-13-14-6-5-8-16(11-14)24(25)26/h3-9,11-12H,2,10,13H2,1H3