1-(2,4-dimethoxyphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea

Systemtic Name: 1-(2,4-dimethoxyphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-(2,4-dimethoxyphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]urea CAS Name: 1-(2,4-dimethoxyphenyl)-3-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea IUPAC Name: 1-(2,4-dimethoxyphenyl)-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea Traditional Name: 1-(2,4-dimethoxyphenyl)-3-[1-[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]urea Formula: C27H28FN5O3S MolecularWeight: 521.606323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)C(C)NC(=O)NC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)C(C)NC(=O)NC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C27H28FN5O3S/c1-17-5-11-21(12-6-17)33-25(31-32-27(33)37-16-19-7-9-20(28)10-8-19)18(2)29-26(34)30-23-14-13-22(35-3)15-24(23)36-4/h5-15,18H,16H2,1-4H3,(H2,29,30,34)