4-[[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: 4-[[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: 4-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]-N-prop-2-ynyl-benzamide CAS Name: 4-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]-N-prop-2-ynylbenzamide IUPAC Name: 4-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]-N-prop-2-ynylbenzamide Traditional Name: 4-[[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=C(C=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C#CCNC(=O)C1=CC=C(C=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

InChI

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