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4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazinyl]benzoic acid

4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazinyl]benzoic acid

Systemtic Name:4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazinyl]benzoic acid
Openeye Name:4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazino]benzoic acid
CAS Name:4-[[(2,6-diethylanilino)-sulfanylidenemethyl]hydrazo]benzoic acid
IUPAC Name:4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazinyl]benzoic acid
Traditional Name:4-[N'-[(2,6-diethylphenyl)thiocarbamoyl]hydrazino]benzoic acid
Formula: C18H21N3O2S
MolecularWeight: 343.44324
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NNC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NNC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C18H21N3O2S/c1-3-12-6-5-7-13(4-2)16(12)19-18(24)21-20-15-10-8-14(9-11-15)17(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)(H2,19,21,24)


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