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

Systemtic Name: 3-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-1,1-dimethyl-urea Openeye Name: 3-[1-[4-(5-chloro-2-methyl-phenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-1,1-dimethyl-urea CAS Name: 3-[1-[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]-1,1-dimethylurea IUPAC Name: 3-[1-[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-1,1-dimethylurea Traditional Name: 3-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-1,1-dimethyl-urea Formula: C22H26ClN5OS MolecularWeight: 443.99274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3C)C(C)NC(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3C)C(C)NC(=O)N(C)C

InChI

InChI=1S/C22H26ClN5OS/c1-14-8-6-7-9-17(14)13-30-22-26-25-20(16(3)24-21(29)27(4)5)28(22)19-12-18(23)11-10-15(19)2/h6-12,16H,13H2,1-5H3,(H,24,29)