1-[(Z)-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylideneamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[(Z)-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methylideneamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[(Z)-(2,4-dimethyl-5-oxo-1-phenyl-pyrazol-3-yl)methyleneamino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[(Z)-(2,4-dimethyl-5-oxo-1-phenyl-3-pyrazolyl)methylideneamino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(Z)-(5-keto-2,4-dimethyl-1-phenyl-3-pyrazolin-3-yl)methyleneamino]thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NN=CC2=C(C(=O)N(N2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N/N=C\C2=C(C(=O)N(N2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H25N5OS/c1-5-17-11-9-10-15(2)20(17)24-22(29)25-23-14-19-16(3)21(28)27(26(19)4)18-12-7-6-8-13-18/h6-14H,5H2,1-4H3,(H2,24,25,29)/b23-14-