3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-(3-pyridylmethylcarbamothioyl)isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethylcarbamothioyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-(3-pyridylmethylthiocarbamoyl)isoxazole-4-carboxamide Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H15ClN4O2S/c1-11-15(16(23-25-11)13-6-2-3-7-14(13)19)17(24)22-18(26)21-10-12-5-4-8-20-9-12/h2-9H,10H2,1H3,(H2,21,22,24,26)