4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(2-methoxy-5-methylphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C14H17N5O2S MolecularWeight: 319.38208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2C(=O)N)C

InChI

InChI=1S/C14H17N5O2S/c1-8-4-5-11(21-3)9(6-8)16-14(22)17-10-7-19(2)18-12(10)13(15)20/h4-7H,1-3H3,(H2,15,20)(H2,16,17,22)