1-butyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-butyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-butyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-butyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-butyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-butyl-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(N(N=C1C)CC2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CCCCNC(=S)NC1=C(N(N=C1C)CC2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4OS/c1-4-5-14-24-23(29)25-22-17(2)26-27(18(22)3)16-19-10-9-13-21(15-19)28-20-11-7-6-8-12-20/h6-13,15H,4-5,14,16H2,1-3H3,(H2,24,25,29)