4-[(3-ethanoylphenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(3-ethanoylphenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(3-acetylphenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3-acetylphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(3-acetylphenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CN(N=C2C(=O)N)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CN(N=C2C(=O)N)C

InChI

InChI=1S/C14H15N5O2S/c1-8(20)9-4-3-5-10(6-9)16-14(22)17-11-7-19(2)18-12(11)13(15)21/h3-7H,1-2H3,(H2,15,21)(H2,16,17,22)