2-[4-(3-imidazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide

Systemtic Name: 2-[4-(3-imidazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Openeye Name: 2-[4-(3-imidazol-1-ylphenyl)sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 2-[4-[[3-(1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 2-[4-(3-imidazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Traditional Name: 2-[4-[(3-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=CC(=C3)N4C=CN=C4

Isomeric SMILES

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

InChI

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