3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,1-diphenethyl-thiourea

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,1-diphenethyl-thiourea Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,1-diphenethyl-thiourea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,1-diphenethylthiourea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-diphenethylthiourea Traditional Name: 3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1,1-diphenethyl-thiourea Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-22-26(27(33)32(30(22)2)25-16-10-5-11-17-25)29-28(34)31(20-18-23-12-6-3-7-13-23)21-19-24-14-8-4-9-15-24/h3-17H,18-21H2,1-2H3,(H,29,34)