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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-5-(4-nitrophenyl)-1,2,4-triazole Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O2S/c1-5-14-25-20(17-8-12-19(13-9-17)26(27)28)23-24-21(25)29-15-16-6-10-18(11-7-16)22(2,3)4/h5-13H,1,14-15H2,2-4H3