(2S)-2-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-one

Systemtic Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-one Openeye Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)cyclohexanone CAS Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)-1-cyclohexanone IUPAC Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-one Traditional Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)cyclohexanone Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)CN2C=NC=N2

Isomeric SMILES

C1CCC(=O)[C@@H](C1)CN2C=NC=N2

InChI

InChI=1S/C9H13N3O/c13-9-4-2-1-3-8(9)5-12-7-10-6-11-12/h6-8H,1-5H2/t8-/m0/s1