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

Systemtic Name: 5-[(1R)-2-oxidanylidenecyclohexyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(1R)-2-oxocyclohexyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[[(1R)-2-oxocyclohexyl]thio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(1R)-2-oxocyclohexyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[[(1R)-2-ketocyclohexyl]thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2CCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCC(=O)[C@@H](C1)SC2=NN=C(N2CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H19N3O2S/c20-13-8-4-5-9-14(13)22-16-18-17-15(21)19(16)11-10-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2,(H,17,21)/p-1/t14-/m1/s1