4-methylsulfanyl-2-phenyl-[1]benzothiolo[3,2-b]pyran-1-ium

Systemtic Name: 4-methylsulfanyl-2-phenyl-[1]benzothiolo[3,2-b]pyran-1-ium Openeye Name: 4-methylsulfanyl-2-phenyl-benzothiopheno[3,2-b]pyran-1-ium CAS Name: 4-(methylthio)-2-phenyl-[1]benzothiolo[3,2-b]pyran-1-ium IUPAC Name: 4-methylsulfanyl-2-phenyl-[1]benzothiolo[3,2-b]pyran-1-ium Traditional Name: 4-(methylthio)-2-phenyl-benzothiopheno[3,2-b]pyran-1-ium Formula: C18H13OS2+ MolecularWeight: 309.42522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=[O+]C2=C1SC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC(=[O+]C2=C1SC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C18H13OS2/c1-20-16-11-14(12-7-3-2-4-8-12)19-17-13-9-5-6-10-15(13)21-18(16)17/h2-11H,1H3/q+1