4-[(4-nitrophenyl)methyl]-3-phenethyl-5-propylsulfanyl-1,2,4-triazole

Systemtic Name: 4-[(4-nitrophenyl)methyl]-3-phenethyl-5-propylsulfanyl-1,2,4-triazole Openeye Name: 4-[(4-nitrophenyl)methyl]-3-phenethyl-5-propylsulfanyl-1,2,4-triazole CAS Name: 4-[(4-nitrophenyl)methyl]-3-phenethyl-5-(propylthio)-1,2,4-triazole IUPAC Name: 4-[(4-nitrophenyl)methyl]-3-phenethyl-5-propylsulfanyl-1,2,4-triazole Traditional Name: 4-(4-nitrobenzyl)-3-phenethyl-5-(propylthio)-1,2,4-triazole Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-2-14-27-20-22-21-19(13-10-16-6-4-3-5-7-16)23(20)15-17-8-11-18(12-9-17)24(25)26/h3-9,11-12H,2,10,13-15H2,1H3