3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 5-isopropyl-3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1H-1,2,4-triazole CAS Name: 3-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 5-isopropyl-3-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1H-1,2,4-triazole Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NNC(=N2)C(C)C

InChI

InChI=1S/C13H16N4O2S/c1-8(2)12-14-13(16-15-12)20-9(3)10-5-4-6-11(7-10)17(18)19/h4-9H,1-3H3,(H,14,15,16)/t9-/m1/s1