3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)-2-prop-1-ynyl-benzamide

Systemtic Name: 3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)-2-prop-1-ynyl-benzamide Openeye Name: 3-(4,4-dimethylthiochroman-8-yl)-2-prop-1-ynyl-benzamide CAS Name: 3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)-2-prop-1-ynylbenzamide IUPAC Name: 3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)-2-prop-1-ynylbenzamide Traditional Name: 3-(4,4-dimethylthiochroman-8-yl)-2-prop-1-ynyl-benzamide Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=CC=C1C(=O)N)C2=C3C(=CC=C2)C(CCS3)(C)C

Isomeric SMILES

CC#CC1=C(C=CC=C1C(=O)N)C2=C3C(=CC=C2)C(CCS3)(C)C

InChI

InChI=1S/C21H21NOS/c1-4-7-14-15(8-5-10-17(14)20(22)23)16-9-6-11-18-19(16)24-13-12-21(18,2)3/h5-6,8-11H,12-13H2,1-3H3,(H2,22,23)