7-chloranyl-2-[4-(3,5-dimethylphenoxy)but-2-ynylsulfinyl]thiochromen-4-one

Systemtic Name: 7-chloranyl-2-[4-(3,5-dimethylphenoxy)but-2-ynylsulfinyl]thiochromen-4-one Openeye Name: 7-chloro-2-[4-(3,5-dimethylphenoxy)but-2-ynylsulfinyl]thiochromen-4-one CAS Name: 7-chloro-2-[4-(3,5-dimethylphenoxy)but-2-ynylsulfinyl]-1-benzothiopyran-4-one IUPAC Name: 7-chloro-2-[4-(3,5-dimethylphenoxy)but-2-ynylsulfinyl]thiochromen-4-one Traditional Name: 7-chloro-2-[4-(3,5-dimethylphenoxy)but-2-ynylsulfinyl]thiochromen-4-one Formula: C21H17ClO3S2 MolecularWeight: 416.94088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC#CCS(=O)C2=CC(=O)C3=C(S2)C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC#CCS(=O)C2=CC(=O)C3=C(S2)C=C(C=C3)Cl)C

InChI

InChI=1S/C21H17ClO3S2/c1-14-9-15(2)11-17(10-14)25-7-3-4-8-27(24)21-13-19(23)18-6-5-16(22)12-20(18)26-21/h5-6,9-13H,7-8H2,1-2H3