2-methyl-4-[[4-[(E)-3-(thian-4-ylidene)prop-1-enyl]sulfonylphenoxy]methyl]quinoline

Systemtic Name: 2-methyl-4-[[4-[(E)-3-(thian-4-ylidene)prop-1-enyl]sulfonylphenoxy]methyl]quinoline Openeye Name: 2-methyl-4-[[4-[(E)-3-tetrahydrothiopyran-4-ylideneprop-1-enyl]sulfonylphenoxy]methyl]quinoline CAS Name: 2-methyl-4-[[4-[(E)-3-(4-thianylidene)prop-1-enyl]sulfonylphenoxy]methyl]quinoline IUPAC Name: 2-methyl-4-[[4-[(E)-3-(thian-4-ylidene)prop-1-enyl]sulfonylphenoxy]methyl]quinoline Traditional Name: 2-methyl-4-[[4-[(E)-3-tetrahydrothiopyran-4-ylideneprop-1-enyl]sulfonylphenoxy]methyl]quinoline Formula: C25H25NO3S2 MolecularWeight: 451.6009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)C=CC=C4CCSCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)/C=C/C=C4CCSCC4

InChI

InChI=1S/C25H25NO3S2/c1-19-17-21(24-6-2-3-7-25(24)26-19)18-29-22-8-10-23(11-9-22)31(27,28)16-4-5-20-12-14-30-15-13-20/h2-11,16-17H,12-15,18H2,1H3/b16-4+