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

Systemtic Name: 1-methyl-4-(phenethylcarbamothioylamino)pyrazole-3-carboxamide Openeye Name: 1-methyl-4-(phenethylcarbamothioylamino)pyrazole-3-carboxamide CAS Name: 1-methyl-4-[[(phenethylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-(phenethylcarbamothioylamino)pyrazole-3-carboxamide Traditional Name: 1-methyl-4-(phenethylthiocarbamoylamino)pyrazole-3-carboxamide Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C14H17N5OS/c1-19-9-11(12(18-19)13(15)20)17-14(21)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,20)(H2,16,17,21)