N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: 4-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: 4-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]-N-thiochroman-4-yl-benzamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NC4CCSC5=CC=CC=C45

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NC4CCSC5=CC=CC=C45

InChI

InChI=1S/C25H21N3O2S/c1-16-6-8-18(9-7-16)24-27-28-25(30-24)19-12-10-17(11-13-19)23(29)26-21-14-15-31-22-5-3-2-4-20(21)22/h2-13,21H,14-15H2,1H3,(H,26,29)