4-ethyl-3-(2-methoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CC=C3OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C(=CC=C2)[N+](=O)[O-])C)C3=CC=CC=C3OC

InChI

InChI=1S/C19H20N4O3S/c1-4-22-18(15-9-5-6-11-17(15)26-3)20-21-19(22)27-12-14-8-7-10-16(13(14)2)23(24)25/h5-11H,4,12H2,1-3H3