2-[(R)-benzotriazol-1-ylmethylsulfanyl(phenyl)methyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(R)-benzotriazol-1-ylmethylsulfanyl(phenyl)methyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(R)-benzotriazol-1-ylmethylsulfanyl(phenyl)methyl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 2-[(R)-(1-benzotriazolylmethylthio)-phenylmethyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 2-[(R)-benzotriazol-1-ylmethylsulfanyl(phenyl)methyl]-3-hydroxycyclohex-2-en-1-one Traditional Name: 2-[(R)-(benzotriazol-1-ylmethylthio)-phenyl-methyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C(C2=CC=CC=C2)SCN3C4=CC=CC=C4N=N3)O

Isomeric SMILES

C1CC(=C(C(=O)C1)[C@@H](C2=CC=CC=C2)SCN3C4=CC=CC=C4N=N3)O

InChI

InChI=1S/C20H19N3O2S/c24-17-11-6-12-18(25)19(17)20(14-7-2-1-3-8-14)26-13-23-16-10-5-4-9-15(16)21-22-23/h1-5,7-10,20,24H,6,11-13H2/t20-/m1/s1