2-[(4-tert-butylphenyl)methylsulfanyl]-3-chloranyl-chromen-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-chloranyl-chromen-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-chloro-chromen-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-chloro-1-benzopyran-4-one IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-chlorochromen-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-chloro-chromone Formula: C20H19ClO2S MolecularWeight: 358.88166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3O2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3O2)Cl

InChI

InChI=1S/C20H19ClO2S/c1-20(2,3)14-10-8-13(9-11-14)12-24-19-17(21)18(22)15-6-4-5-7-16(15)23-19/h4-11H,12H2,1-3H3