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

Systemtic Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-butyl-3-(4-methoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O3S/c1-3-4-13-23-19(16-7-11-18(27-2)12-8-16)21-22-20(23)28-14-15-5-9-17(10-6-15)24(25)26/h5-12H,3-4,13-14H2,1-2H3