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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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