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

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]-3-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,3-dichlorophenyl)urea CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-(2,3-dichlorophenyl)urea IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,3-dichlorophenyl)urea Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(2,3-dichlorophenyl)urea Formula: C25H22Cl3N5O2S MolecularWeight: 562.89848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22Cl3N5O2S/c1-15-9-10-17(26)12-21(15)33-22(13-29-24(34)30-20-8-4-7-19(27)23(20)28)31-32-25(33)36-14-16-5-3-6-18(11-16)35-2/h3-12H,13-14H2,1-2H3,(H2,29,30,34)