2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-prop-2-ynyl-benzamide

Systemtic Name: 2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-prop-2-ynyl-benzamide Openeye Name: 2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]-N-prop-2-ynyl-benzamide CAS Name: 2-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]-N-prop-2-ynylbenzamide IUPAC Name: 2-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-prop-2-ynylbenzamide Traditional Name: 2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]-N-propargyl-benzamide Formula: C32H29N3O3S MolecularWeight: 535.65596

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC=CC=C1SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C#CCNC(=O)C1=CC=CC=C1SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H29N3O3S/c1-2-17-34-32(37)26-11-6-7-14-31(26)39-21-27-24-12-8-13-28(36)25(24)15-16-29(27)38-30(20-35-19-18-33-22-35)23-9-4-3-5-10-23/h1,3-7,9-11,14-16,18-19,22,30H,8,12-13,17,20-21H2,(H,34,37)