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3-(hexylcarbamothioylamino)-1-(phenylmethyl)pyrazole-4-carboxylic acid
3-(hexylcarbamothioylamino)-1-(phenylmethyl)pyrazole-4-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCNC(=S)NC1=NN(C=C1C(=O)O)CC2=CC=CC=C2
Isomeric SMILES
CCCCCCNC(=S)NC1=NN(C=C1C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C18H24N4O2S/c1-2-3-4-8-11-19-18(25)20-16-15(17(23)24)13-22(21-16)12-14-9-6-5-7-10-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,23,24)(H2,19,20,21,25)
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- 2-oxidanylidenehexanedioic acid
- 2-oxidanylidene-3-sulfanyl-propanoic acid
- 3-oxidanylbenzaldehyde
- 3-azanylpropanal
- 2-azanyl-3-oxidanyl-benzoic acid
- 3-(3-hydroxyphenyl)propanoic acid
- 3-oxidanylidenehexanedioic acid
- 3-(hexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylic acid
- ethyl 5-(phenylcarbamothioylamino)-1-(phenylmethyl)pyrazole-4-carboxylate
- ethyl 3-(butylcarbamoylamino)-1-propyl-pyrazole-4-carboxylate
- ethyl 1-(phenylmethyl)-5-(propylcarbamoylamino)pyrazole-4-carboxylate
- 3-(cyclohexylcarbamoylamino)-1-propyl-pyrazole-4-carboxylic acid
- ethyl 1-ethyl-3-(hexylcarbamoylamino)pyrazole-4-carboxylate
- 1-butyl-3-(cyclohexylcarbamothioylamino)pyrazole-4-carboxylic acid
- 3-(cyclohexylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylic acid
- ethyl 3-(butylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylate
- ethyl 3-[methyl(methylcarbamothioyl)amino]-1-propyl-pyrazole-4-carboxylate
