(2S)-2-(benzotriazol-1-ylmethylsulfanyl)cyclohexan-1-one

Systemtic Name: (2S)-2-(benzotriazol-1-ylmethylsulfanyl)cyclohexan-1-one Openeye Name: (2S)-2-(benzotriazol-1-ylmethylsulfanyl)cyclohexanone CAS Name: (2S)-2-(1-benzotriazolylmethylthio)-1-cyclohexanone IUPAC Name: (2S)-2-(benzotriazol-1-ylmethylsulfanyl)cyclohexan-1-one Traditional Name: (2S)-2-(benzotriazol-1-ylmethylthio)cyclohexanone Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SCN2C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCC(=O)[C@H](C1)SCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H15N3OS/c17-12-7-3-4-8-13(12)18-9-16-11-6-2-1-5-10(11)14-15-16/h1-2,5-6,13H,3-4,7-9H2/t13-/m0/s1