4-ethyl-3-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-methylphenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC(=C3)C

InChI

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