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

Systemtic Name: 1-[[4-[2,5-bis(chloranyl)phenyl]-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea Openeye Name: 1-[[4-(2,5-dichlorophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea CAS Name: 1-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea IUPAC Name: 1-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea Traditional Name: 1-[[4-(2,5-dichlorophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethoxyphenyl)urea Formula: C26H25Cl2N5O3S MolecularWeight: 558.4794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)CNC(=O)NC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)CNC(=O)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C26H25Cl2N5O3S/c1-16-6-4-5-7-17(16)15-37-26-32-31-24(33(26)23-10-18(27)8-9-22(23)28)14-29-25(34)30-19-11-20(35-2)13-21(12-19)36-3/h4-13H,14-15H2,1-3H3,(H2,29,30,34)