3-[(4-pyridin-2-ylsulfanylphenyl)amino]cyclohex-2-en-1-one

Systemtic Name: 3-[(4-pyridin-2-ylsulfanylphenyl)amino]cyclohex-2-en-1-one Openeye Name: 3-[4-(2-pyridylsulfanyl)anilino]cyclohex-2-en-1-one CAS Name: 3-[4-(2-pyridinylthio)anilino]-1-cyclohex-2-enone IUPAC Name: 3-(4-pyridin-2-ylsulfanylanilino)cyclohex-2-en-1-one Traditional Name: 3-[4-(2-pyridylthio)anilino]cyclohex-2-en-1-one Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)NC2=CC=C(C=C2)SC3=CC=CC=N3

Isomeric SMILES

C1CC(=CC(=O)C1)NC2=CC=C(C=C2)SC3=CC=CC=N3

InChI

InChI=1S/C17H16N2OS/c20-15-5-3-4-14(12-15)19-13-7-9-16(10-8-13)21-17-6-1-2-11-18-17/h1-2,6-12,19H,3-5H2