2-ethyl-4-[(3-methylphenyl)carbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-4-[(3-methylphenyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-(m-tolylcarbamothioylamino)pyrazole-3-carboxamide CAS Name: 2-ethyl-4-[[(3-methylanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-4-[(3-methylphenyl)carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 2-ethyl-4-(m-tolylthiocarbamoylamino)pyrazole-3-carboxamide Formula: C14H17N5OS MolecularWeight: 303.38268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=CC=CC(=C2)C)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=CC=CC(=C2)C)C(=O)N

InChI

InChI=1S/C14H17N5OS/c1-3-19-12(13(15)20)11(8-16-19)18-14(21)17-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H2,15,20)(H2,17,18,21)