(3R)-3-[3-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-1-yl]butan-2-one

Systemtic Name: (3R)-3-[3-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-1-yl]butan-2-one Openeye Name: (3R)-3-[3-[(3-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-1-yl]butan-2-one CAS Name: (3R)-3-[3-[(3-nitro-2-pyridinyl)thio]-1,2,4-triazol-1-yl]-2-butanone IUPAC Name: (3R)-3-[3-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-1-yl]butan-2-one Traditional Name: (3R)-3-[3-[(3-nitro-2-pyridyl)thio]-1,2,4-triazol-1-yl]butan-2-one Formula: C11H11N5O3S MolecularWeight: 293.30174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C=NC(=N1)SC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C)N1C=NC(=N1)SC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O3S/c1-7(8(2)17)15-6-13-11(14-15)20-10-9(16(18)19)4-3-5-12-10/h3-7H,1-2H3/t7-/m1/s1