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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O3S/c1-14(2)12-23-19(15-8-10-17(27-3)11-9-15)21-22-20(23)28-13-16-6-4-5-7-18(16)24(25)26/h4-11,14H,12-13H2,1-3H3