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

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C13H14ClN5O2S MolecularWeight: 339.80056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C13H14ClN5O2S/c1-19-6-9(11(18-19)12(15)20)17-13(22)16-8-5-7(14)3-4-10(8)21-2/h3-6H,1-2H3,(H2,15,20)(H2,16,17,22)