1-(3-chloranyl-2-methyl-phenyl)-3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]amino]thiourea Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20ClN5O2S/c1-12-16(22)10-7-11-17(12)23-21(30)25-24-20(29)19(28)18-13(2)26-27(14(18)3)15-8-5-4-6-9-15/h4-11H,1-3H3,(H,24,29)(H2,23,25,30)