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

Systemtic Name: 2-[4-(4-pyrazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Openeye Name: 2-[4-(4-pyrazol-1-ylphenyl)sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 2-[4-[[4-(1-pyrazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 2-[4-(4-pyrazol-1-ylphenyl)sulfanylphenyl]oxane-4-carboxamide Traditional Name: 2-[4-[(4-pyrazol-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=CC=N4

Isomeric SMILES

C1COC(CC1C(=O)N)C2=CC=C(C=C2)SC3=CC=C(C=C3)N4C=CC=N4

InChI

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