4-[[(Z)-1-[5-(3,4-dichlorophenyl)-1-methyl-4-oxidanyl-pyrazol-3-yl]ethylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[(Z)-1-[5-(3,4-dichlorophenyl)-1-methyl-4-oxidanyl-pyrazol-3-yl]ethylideneamino]carbamothioylamino]benzoic acid Openeye Name: 4-[[(Z)-1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-pyrazol-3-yl]ethylideneamino]carbamothioylamino]benzoic acid CAS Name: 4-[[[(2Z)-2-[1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-3-pyrazolyl]ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[(Z)-1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]carbamothioylamino]benzoic acid Traditional Name: 4-[[(Z)-1-[5-(3,4-dichlorophenyl)-4-hydroxy-1-methyl-pyrazol-3-yl]ethylideneamino]thiocarbamoylamino]benzoic acid Formula: C20H17Cl2N5O3S MolecularWeight: 478.35168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=C(C=C1)C(=O)O)C2=NN(C(=C2O)C3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC=C(C=C1)C(=O)O)/C2=NN(C(=C2O)C3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C20H17Cl2N5O3S/c1-10(24-25-20(31)23-13-6-3-11(4-7-13)19(29)30)16-18(28)17(27(2)26-16)12-5-8-14(21)15(22)9-12/h3-9,28H,1-2H3,(H,29,30)(H2,23,25,31)/b24-10-