1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methoxyethyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NCCOC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NCCOC

InChI

InChI=1S/C22H26N4O2S/c1-16-21(24-22(29)23-12-13-27-3)17(2)26(25-16)15-18-8-7-11-20(14-18)28-19-9-5-4-6-10-19/h4-11,14H,12-13,15H2,1-3H3,(H2,23,24,29)