1-[2,6-di(propan-2-yl)phenyl]-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]urea

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-(2,6-diisopropylphenyl)-3-[[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]urea Formula: C30H34FN5OS MolecularWeight: 531.687263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNC(=O)NC4=C(C=CC=C4C(C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNC(=O)NC4=C(C=CC=C4C(C)C)C(C)C

InChI

InChI=1S/C30H34FN5OS/c1-19(2)25-7-6-8-26(20(3)4)28(25)33-29(37)32-17-27-34-35-30(36(27)24-15-9-21(5)10-16-24)38-18-22-11-13-23(31)14-12-22/h6-16,19-20H,17-18H2,1-5H3,(H2,32,33,37)