5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C18H17N4O3S- MolecularWeight: 369.41758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CCC3=CC=CC=C3)[O-]

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-13(15-8-5-9-16(12-15)22(24)25)26-18-20-19-17(23)21(18)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,19,23)/p-1/t13-/m1/s1