5,7-ditert-butyl-4-(methylamino)-2-phenyl-cyclopenta[b]thiopyran-3-carbonitrile

Systemtic Name: 5,7-ditert-butyl-4-(methylamino)-2-phenyl-cyclopenta[b]thiopyran-3-carbonitrile Openeye Name: 5,7-ditert-butyl-4-(methylamino)-2-phenyl-cyclopenta[b]thiopyran-3-carbonitrile CAS Name: 5,7-ditert-butyl-4-(methylamino)-2-phenyl-3-cyclopenta[b]thiopyrancarbonitrile IUPAC Name: 5,7-ditert-butyl-4-(methylamino)-2-phenylcyclopenta[b]thiopyran-3-carbonitrile Traditional Name: 5,7-ditert-butyl-4-(methylamino)-2-phenyl-cyclopenta[b]thiopyran-3-carbonitrile Formula: C24H28N2S MolecularWeight: 376.55752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C1=C(C(=C(S2)C3=CC=CC=C3)C#N)NC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C1=C(C(=C(S2)C3=CC=CC=C3)C#N)NC)C(C)(C)C

InChI

InChI=1S/C24H28N2S/c1-23(2,3)17-13-18(24(4,5)6)22-19(17)20(26-7)16(14-25)21(27-22)15-11-9-8-10-12-15/h8-13,26H,1-7H3