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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C26H25ClN4O2S/c1-17-25(29-26(34)28-23-15-20(27)12-13-24(23)32-3)18(2)31(30-17)16-19-8-7-11-22(14-19)33-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H2,28,29,34)