4-ethyl-3-(2-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(2-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(o-tolyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(2-methylphenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(2-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[2-(3-nitrophenoxy)ethylthio]-5-(o-tolyl)-1,2,4-triazole Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C19H20N4O3S/c1-3-22-18(17-10-5-4-7-14(17)2)20-21-19(22)27-12-11-26-16-9-6-8-15(13-16)23(24)25/h4-10,13H,3,11-12H2,1-2H3