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

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

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

Isomeric SMILES

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

InChI

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