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

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3-chloro-2-methylphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C13H14ClN5OS MolecularWeight: 323.80116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=CN(N=C2C(=O)N)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=CN(N=C2C(=O)N)C

InChI

InChI=1S/C13H14ClN5OS/c1-7-8(14)4-3-5-9(7)16-13(21)17-10-6-19(2)18-11(10)12(15)20/h3-6H,1-2H3,(H2,15,20)(H2,16,17,21)