3-(2-chlorophenyl)-N-[(4-cyanophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-cyanophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-[(4-cyanophenyl)carbamothioyl]-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-N-[(4-cyanoanilino)-sulfanylidenemethyl]-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-N-[(4-cyanophenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-[(4-cyanophenyl)thiocarbamoyl]-5-methyl-isoxazole-4-carboxamide Formula: C19H13ClN4O2S MolecularWeight: 396.85012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H13ClN4O2S/c1-11-16(17(24-26-11)14-4-2-3-5-15(14)20)18(25)23-19(27)22-13-8-6-12(10-21)7-9-13/h2-9H,1H3,(H2,22,23,25,27)