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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3,3-diphenylpropyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3,3-diphenylpropyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(3,3-diphenylpropyl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3,3-diphenylpropyl)thiourea Traditional Name: 1-(3,3-diphenylpropyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4OS/c1-20-25(26(32)31(30(20)2)23-16-10-5-11-17-23)29-27(33)28-19-18-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24H,18-19H2,1-2H3,(H2,28,29,33)