2-[4-(4-imidazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide

Systemtic Name: 2-[4-(4-imidazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Openeye Name: 2-[4-(4-imidazol-1-ylphenyl)sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 2-[4-[[4-(1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 2-[4-(4-imidazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Traditional Name: 2-[4-[(4-imidazol-1-ylphenyl)thio]phenyl]tetrahydropyran-4-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C(=O)N)C2=CC=C(C=C2)SC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1COC(CC1C(=O)N)C2=CC=C(C=C2)SC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H21N3O2S/c22-21(25)16-9-12-26-20(13-16)15-1-5-18(6-2-15)27-19-7-3-17(4-8-19)24-11-10-23-14-24/h1-8,10-11,14,16,20H,9,12-13H2,(H2,22,25)