1-methyl-4-(phenylcarbamothioylamino)pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-(phenylcarbamothioylamino)pyrazole-3-carboxamide Openeye Name: 1-methyl-4-(phenylcarbamothioylamino)pyrazole-3-carboxamide CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-(phenylcarbamothioylamino)pyrazole-3-carboxamide Traditional Name: 1-methyl-4-(phenylthiocarbamoylamino)pyrazole-3-carboxamide Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2

InChI

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