1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(2S)-2-ethylhexyl]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H30N4OS MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C20H30N4OS/c1-5-7-11-16(6-2)14-21-20(26)22-18-15(3)23(4)24(19(18)25)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14H2,1-4H3,(H2,21,22,26)/t16-/m0/s1