3-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]propylcyanamide

Systemtic Name: 3-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]propylcyanamide Openeye Name: 3-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]propylcyanamide CAS Name: 3-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]propylcyanamide IUPAC Name: 3-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]propylcyanamide Traditional Name: 3-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]propylcyanamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCNC#N)C=CC(=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1(CSC2=C(C1CCCNC#N)C=CC(=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H22N2O2S/c1-20(14-4-6-15(23)7-5-14)12-25-19-11-16(24)8-9-17(19)18(20)3-2-10-22-13-21/h4-9,11,18,22-24H,2-3,10,12H2,1H3