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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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