(1S,4E,8R,9R)-2,2,5,9-tetramethyl-10-oxidanylidene-8-phenylsulfanyl-cycloundec-4-ene-1-carbonitrile

Systemtic Name: (1S,4E,8R,9R)-2,2,5,9-tetramethyl-10-oxidanylidene-8-phenylsulfanyl-cycloundec-4-ene-1-carbonitrile Openeye Name: (1S,4E,8R,9R)-2,2,5,9-tetramethyl-10-oxo-8-phenylsulfanyl-cycloundec-4-ene-1-carbonitrile CAS Name: (1S,4E,8R,9R)-2,2,5,9-tetramethyl-10-oxo-8-(phenylthio)-1-cycloundec-4-enecarbonitrile IUPAC Name: (1S,4E,8R,9R)-2,2,5,9-tetramethyl-10-oxo-8-phenylsulfanylcycloundec-4-ene-1-carbonitrile Traditional Name: (1S,4E,8R,9R)-10-keto-2,2,5,9-tetramethyl-8-(phenylthio)cycloundec-4-ene-1-carbonitrile Formula: C22H29NOS MolecularWeight: 355.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(=CCC(C(CC1=O)C#N)(C)C)C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@@H](CC/C(=C/CC([C@H](CC1=O)C#N)(C)C)/C)SC2=CC=CC=C2

InChI

InChI=1S/C22H29NOS/c1-16-10-11-21(25-19-8-6-5-7-9-19)17(2)20(24)14-18(15-23)22(3,4)13-12-16/h5-9,12,17-18,21H,10-11,13-14H2,1-4H3/b16-12+/t17-,18-,21-/m1/s1