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

Systemtic Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-3-21-17(15-9-4-5-10-16(15)25-2)19-20-18(21)26-12-13-7-6-8-14(11-13)22(23)24/h4-11H,3,12H2,1-2H3