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

Systemtic Name: 4-[3-(4-imidazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Openeye Name: 4-[3-(4-imidazol-1-ylphenyl)sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-[[4-(1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-(4-imidazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-[(4-imidazol-1-ylphenyl)thio]phenyl]tetrahydropyran-4-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CN=C4)C(=O)N

Isomeric SMILES

C1COCCC1(C2=CC(=CC=C2)SC3=CC=C(C=C3)N4C=CN=C4)C(=O)N

InChI

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