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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]urea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[4-(5-chloro-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]urea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]urea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]urea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]urea Formula: C26H25Cl2N5O2S MolecularWeight: 542.48

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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=CC(=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H25Cl2N5O2S/c1-16-8-10-20(13-22(16)28)30-25(34)29-14-24-31-32-26(33(24)23-12-19(27)9-7-17(23)2)36-15-18-5-4-6-21(11-18)35-3/h4-13H,14-15H2,1-3H3,(H2,29,30,34)