3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-propan-2-yl-1,2,4-triazole Openeye Name: 4-isopropyl-3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole CAS Name: 3-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-propan-2-yl-1,2,4-triazole Traditional Name: 4-isopropyl-3-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazole Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=CN2C(C)C

InChI

InChI=1S/C13H16N4O2S/c1-9(2)16-8-14-15-13(16)20-10(3)11-5-4-6-12(7-11)17(18)19/h4-10H,1-3H3/t10-/m1/s1