3-(4-tert-butylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-isopropylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-nitrophenyl)methylthio]-4-(4-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(4-nitrobenzyl)thio]-4-p-cumenyl-1,2,4-triazole Formula: C28H30N4O2S MolecularWeight: 486.6284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H30N4O2S/c1-19(2)21-10-16-24(17-11-21)31-26(22-8-12-23(13-9-22)28(3,4)5)29-30-27(31)35-18-20-6-14-25(15-7-20)32(33)34/h6-17,19H,18H2,1-5H3