1-[2,4-bis(fluoranyl)phenyl]-3-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]urea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-(2,4-difluorophenyl)urea CAS Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-3-(2,4-difluorophenyl)urea IUPAC Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-(2,4-difluorophenyl)urea Traditional Name: 1-[1-[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]ethyl]-3-(2,4-difluorophenyl)urea Formula: C26H24ClF2N5O2S MolecularWeight: 544.015866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClF2N5O2S/c1-15-7-8-18(27)12-23(15)34-24(16(2)30-25(35)31-22-10-9-19(28)13-21(22)29)32-33-26(34)37-14-17-5-4-6-20(11-17)36-3/h4-13,16H,14H2,1-3H3,(H2,30,31,35)