5-methyl-3-phenyl-N-[(pyridin-3-ylcarbonylamino)carbamothioyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-[(pyridin-3-ylcarbonylamino)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[(pyridine-3-carbonylamino)carbamothioyl]isoxazole-4-carboxamide CAS Name: 5-methyl-N-[[[oxo(3-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[(pyridine-3-carbonylamino)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-N-(nicotinamidothiocarbamoyl)-3-phenyl-isoxazole-4-carboxamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H15N5O3S/c1-11-14(15(23-26-11)12-6-3-2-4-7-12)17(25)20-18(27)22-21-16(24)13-8-5-9-19-10-13/h2-10H,1H3,(H,21,24)(H2,20,22,25,27)