5,5-dimethyl-3-[(4-sulfanylphenyl)amino]cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-[(4-sulfanylphenyl)amino]cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-(4-sulfanylanilino)cyclohex-2-en-1-one CAS Name: 3-(4-mercaptoanilino)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-(4-sulfanylanilino)cyclohex-2-en-1-one Traditional Name: 3-(4-mercaptoanilino)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)S)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)S)C

InChI

InChI=1S/C14H17NOS/c1-14(2)8-11(7-12(16)9-14)15-10-3-5-13(17)6-4-10/h3-7,15,17H,8-9H2,1-2H3