N-[(2-cyanophenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

InChI=1S/C13H11N5OS/c1-18-7-6-11(17-18)12(19)16-13(20)15-10-5-3-2-4-9(10)8-14/h2-7H,1H3,(H2,15,16,19,20)