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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 4-isopropyl-3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 4-isopropyl-3-(4-methoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20N4O3S/c1-13(2)22-18(15-6-10-17(26-3)11-7-15)20-21-19(22)27-12-14-4-8-16(9-5-14)23(24)25/h4-11,13H,12H2,1-3H3