3,3-dimethyl-5-(phenylmethylsulfanyl)-4-azaspiro[5.5]undeca-4,7,10-trien-9-one

Systemtic Name: 3,3-dimethyl-5-(phenylmethylsulfanyl)-4-azaspiro[5.5]undeca-4,7,10-trien-9-one Openeye Name: 5-benzylsulfanyl-3,3-dimethyl-4-azaspiro[5.5]undeca-4,7,10-trien-9-one CAS Name: 3,3-dimethyl-5-(phenylmethylthio)-4-azaspiro[5.5]undeca-4,7,10-trien-9-one IUPAC Name: 5-benzylsulfanyl-3,3-dimethyl-4-azaspiro[5.5]undeca-4,7,10-trien-9-one Traditional Name: 5-(benzylthio)-3,3-dimethyl-4-azaspiro[5.5]undeca-4,7,10-trien-9-one Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(C=CC(=O)C=C2)C(=N1)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CCC2(C=CC(=O)C=C2)C(=N1)SCC3=CC=CC=C3)C

InChI

InChI=1S/C19H21NOS/c1-18(2)12-13-19(10-8-16(21)9-11-19)17(20-18)22-14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3