N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-naphthalene-2-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]-2-naphthalenecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylnaphthalene-2-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-1-hydroxy-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]-2-naphthamide Formula: C39H47N5O4S MolecularWeight: 681.88658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=C(C=C5)OC)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=C(C=C5)OC)O)C(C)(C)CC

InChI

InChI=1S/C39H47N5O4S/c1-8-38(3,4)26-16-21-33(32(24-26)39(5,6)9-2)48-23-13-12-22-40-36(46)31-25-34(29-14-10-11-15-30(29)35(31)45)49-37-41-42-43-44(37)27-17-19-28(47-7)20-18-27/h10-11,14-21,24-25,45H,8-9,12-13,22-23H2,1-7H3,(H,40,46)