3,5-bis(azanyl)-1-ethanoyl-N-phenyl-pyrazole-4-carbothioamide

Systemtic Name: 3,5-bis(azanyl)-1-ethanoyl-N-phenyl-pyrazole-4-carbothioamide Openeye Name: 1-acetyl-3,5-diamino-N-phenyl-pyrazole-4-carbothioamide CAS Name: 1-acetyl-3,5-diamino-N-phenyl-4-pyrazolecarbothioamide IUPAC Name: 1-acetyl-3,5-diamino-N-phenylpyrazole-4-carbothioamide Traditional Name: 1-acetyl-3,5-diamino-N-phenyl-pyrazole-4-carbothioamide Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(C(=N1)N)C(=S)NC2=CC=CC=C2)N

Isomeric SMILES

CC(=O)N1C(=C(C(=N1)N)C(=S)NC2=CC=CC=C2)N

InChI

InChI=1S/C12H13N5OS/c1-7(18)17-11(14)9(10(13)16-17)12(19)15-8-5-3-2-4-6-8/h2-6H,14H2,1H3,(H2,13,16)(H,15,19)