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

Systemtic Name: 1-[[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea Openeye Name: 1-[[4-(2,5-dichlorophenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea CAS Name: 1-[[4-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[[4-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-methylphenyl)urea Traditional Name: 1-[[4-(2,5-dichlorophenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-3-(p-tolyl)urea Formula: C25H23Cl2N5OS MolecularWeight: 512.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)SCC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C25H23Cl2N5OS/c1-16-6-9-20(10-7-16)29-24(33)28-14-23-30-31-25(34-15-18-5-3-4-17(2)12-18)32(23)22-13-19(26)8-11-21(22)27/h3-13H,14-15H2,1-2H3,(H2,28,29,33)