4-chloranyl-2-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-2-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 4-chloro-2-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 4-chloro-2-methyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-2-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 4-chloro-2-methyl-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]pyrazole-3-carboxamide Formula: C13H12ClN5O3S MolecularWeight: 353.78408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C=NN2C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C=NN2C)Cl

InChI

InChI=1S/C13H12ClN5O3S/c1-7-3-4-8(19(21)22)5-10(7)16-13(23)17-12(20)11-9(14)6-15-18(11)2/h3-6H,1-2H3,(H2,16,17,20,23)