3,5-bis(azanyl)-1-(2-methylpropanoyl)-N-phenyl-pyrazole-4-carbothioamide

Systemtic Name: 3,5-bis(azanyl)-1-(2-methylpropanoyl)-N-phenyl-pyrazole-4-carbothioamide Openeye Name: 3,5-diamino-1-(2-methylpropanoyl)-N-phenyl-pyrazole-4-carbothioamide CAS Name: 3,5-diamino-1-(2-methyl-1-oxopropyl)-N-phenyl-4-pyrazolecarbothioamide IUPAC Name: 3,5-diamino-1-(2-methylpropanoyl)-N-phenylpyrazole-4-carbothioamide Traditional Name: 3,5-diamino-1-isobutyryl-N-phenyl-pyrazole-4-carbothioamide Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5OS/c1-8(2)14(20)19-12(16)10(11(15)18-19)13(21)17-9-6-4-3-5-7-9/h3-8H,16H2,1-2H3,(H2,15,18)(H,17,21)