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

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-propyl-thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-propyl-thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-propylthiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-propylthiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-propyl-thiourea Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-4-13-23-22(28)24-21-16(2)25-26(17(21)3)15-18-9-8-12-20(14-18)27-19-10-6-5-7-11-19/h5-12,14H,4,13,15H2,1-3H3,(H2,23,24,28)