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

Systemtic Name: 4-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-olate Openeye Name: 4-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-olate CAS Name: 4-cyclopropyl-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-olate IUPAC Name: 4-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-3-olate Traditional Name: 4-cyclopropyl-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-olate Formula: C13H13N4O3S- MolecularWeight: 305.33232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)[O-]

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3CC3)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-8(9-3-2-4-11(7-9)17(19)20)21-13-15-14-12(18)16(13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,14,18)/p-1/t8-/m1/s1