(1R,4R)-1,4-dimethyl-5-oxidanylidene-2-phenylsulfanyl-1,3,3a,4,6,6a-hexahydropentalene-2-carbonitrile

Systemtic Name: (1R,4R)-1,4-dimethyl-5-oxidanylidene-2-phenylsulfanyl-1,3,3a,4,6,6a-hexahydropentalene-2-carbonitrile Openeye Name: (1R,4R)-1,4-dimethyl-5-oxo-2-phenylsulfanyl-1,3,3a,4,6,6a-hexahydropentalene-2-carbonitrile CAS Name: (1R,4R)-1,4-dimethyl-5-oxo-2-(phenylthio)-1,3,3a,4,6,6a-hexahydropentalene-2-carbonitrile IUPAC Name: (1R,4R)-1,4-dimethyl-5-oxo-2-phenylsulfanyl-1,3,3a,4,6,6a-hexahydropentalene-2-carbonitrile Traditional Name: (1R,4R)-5-keto-1,4-dimethyl-2-(phenylthio)-1,3,3a,4,6,6a-hexahydropentalene-2-carbonitrile Formula: C17H19NOS MolecularWeight: 285.40386

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C(C2CC1=O)C)(C#N)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C2CC([C@@H](C2CC1=O)C)(C#N)SC3=CC=CC=C3

InChI

InChI=1S/C17H19NOS/c1-11-15-9-17(10-18,12(2)14(15)8-16(11)19)20-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-9H2,1-2H3/t11-,12-,14?,15?,17?/m1/s1