4-[2,4-bis(chloranyl)phenoxy]-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]butyramide Formula: C16H17Cl2N5O3S MolecularWeight: 430.30888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H17Cl2N5O3S/c1-9-7-12(21-20-9)15(25)22-23-16(27)19-14(24)3-2-6-26-13-5-4-10(17)8-11(13)18/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,22,25)(H2,19,23,24,27)