3a,6a-dimethyl-5-oxidanylidene-2-phenylsulfanyl-1,3,4,6-tetrahydropentalene-2-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)CC1(CC(C2)(C#N)SC3=CC=CC=C3)C

Isomeric SMILES

CC12CC(=O)CC1(CC(C2)(C#N)SC3=CC=CC=C3)C

InChI

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