1-methyl-4-(prop-2-enylcarbamothioylamino)pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-(prop-2-enylcarbamothioylamino)pyrazole-3-carboxamide Openeye Name: 4-(allylcarbamothioylamino)-1-methyl-pyrazole-3-carboxamide CAS Name: 1-methyl-4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-(prop-2-enylcarbamothioylamino)pyrazole-3-carboxamide Traditional Name: 4-(allylthiocarbamoylamino)-1-methyl-pyrazole-3-carboxamide Formula: C9H13N5OS MolecularWeight: 239.29742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NCC=C

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NCC=C

InChI

InChI=1S/C9H13N5OS/c1-3-4-11-9(16)12-6-5-14(2)13-7(6)8(10)15/h3,5H,1,4H2,2H3,(H2,10,15)(H2,11,12,16)