7-chloranyl-2-[4-(2-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one

Systemtic Name: 7-chloranyl-2-[4-(2-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one Openeye Name: 7-chloro-2-[4-(2-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one CAS Name: 7-chloro-2-[4-(2-methylphenoxy)but-2-ynylthio]-1-benzothiopyran-4-one IUPAC Name: 7-chloro-2-[4-(2-methylphenoxy)but-2-ynylsulfanyl]thiochromen-4-one Traditional Name: 7-chloro-2-[4-(2-methylphenoxy)but-2-ynylthio]thiochromen-4-one Formula: C20H15ClO2S2 MolecularWeight: 386.9149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC#CCSC2=CC(=O)C3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1OCC#CCSC2=CC(=O)C3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C20H15ClO2S2/c1-14-6-2-3-7-18(14)23-10-4-5-11-24-20-13-17(22)16-9-8-15(21)12-19(16)25-20/h2-3,6-9,12-13H,10-11H2,1H3