1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H18ClN5O2S/c1-11-8-12(2)16(14(20)9-11)21-19(28)23-22-18(27)17-15(26)10-25(24-17)13-6-4-3-5-7-13/h3-10,26H,1-2H3,(H,22,27)(H2,21,23,28)