4-[(4-nitrophenyl)methyl]-3-(phenylmethylsulfanyl)-5-propyl-1,2,4-triazole

Systemtic Name: 4-[(4-nitrophenyl)methyl]-3-(phenylmethylsulfanyl)-5-propyl-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-[(4-nitrophenyl)methyl]-5-propyl-1,2,4-triazole CAS Name: 4-[(4-nitrophenyl)methyl]-3-(phenylmethylthio)-5-propyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-[(4-nitrophenyl)methyl]-5-propyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(4-nitrobenzyl)-5-propyl-1,2,4-triazole Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-2-6-18-20-21-19(26-14-16-7-4-3-5-8-16)22(18)13-15-9-11-17(12-10-15)23(24)25/h3-5,7-12H,2,6,13-14H2,1H3