2-(5-azanyl-1-phenyl-pyrazol-4-yl)-N-(2-oxidanylidenethiolan-3-yl)-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(5-azanyl-1-phenyl-pyrazol-4-yl)-N-(2-oxidanylidenethiolan-3-yl)-1,3-oxazole-4-carboxamide Openeye Name: 2-(5-amino-1-phenyl-pyrazol-4-yl)-N-(2-oxotetrahydrothiophen-3-yl)oxazole-4-carboxamide CAS Name: 2-(5-amino-1-phenyl-4-pyrazolyl)-N-(2-oxo-3-thiolanyl)-4-oxazolecarboxamide IUPAC Name: 2-(5-amino-1-phenylpyrazol-4-yl)-N-(2-oxothiolan-3-yl)-1,3-oxazole-4-carboxamide Traditional Name: 2-(5-amino-1-phenyl-pyrazol-4-yl)-N-(2-ketotetrahydrothiophen-3-yl)oxazole-4-carboxamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=O)C2=COC(=N2)C3=C(N(N=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1CSC(=O)C1NC(=O)C2=COC(=N2)C3=C(N(N=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C17H15N5O3S/c18-14-11(8-19-22(14)10-4-2-1-3-5-10)16-21-13(9-25-16)15(23)20-12-6-7-26-17(12)24/h1-5,8-9,12H,6-7,18H2,(H,20,23)