7-chloranyl-2-(4-phenoxybut-2-ynylsulfanyl)thiochromen-4-one

Systemtic Name: 7-chloranyl-2-(4-phenoxybut-2-ynylsulfanyl)thiochromen-4-one Openeye Name: 7-chloro-2-(4-phenoxybut-2-ynylsulfanyl)thiochromen-4-one CAS Name: 7-chloro-2-(4-phenoxybut-2-ynylthio)-1-benzothiopyran-4-one IUPAC Name: 7-chloro-2-(4-phenoxybut-2-ynylsulfanyl)thiochromen-4-one Traditional Name: 7-chloro-2-(4-phenoxybut-2-ynylthio)thiochromen-4-one Formula: C19H13ClO2S2 MolecularWeight: 372.88832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC#CCSC2=CC(=O)C3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC#CCSC2=CC(=O)C3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C19H13ClO2S2/c20-14-8-9-16-17(21)13-19(24-18(16)12-14)23-11-5-4-10-22-15-6-2-1-3-7-15/h1-3,6-9,12-13H,10-11H2