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

Systemtic Name: 1-[[4-[2,5-bis(chloranyl)phenyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-(2,3-dimethylphenyl)urea Openeye Name: 1-[[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-3-(2,3-dimethylphenyl)urea CAS Name: 1-[[4-(2,5-dichlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-3-(2,3-dimethylphenyl)urea IUPAC Name: 1-[[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-3-(2,3-dimethylphenyl)urea Traditional Name: 1-[[5-(benzylthio)-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-3-(2,3-dimethylphenyl)urea Formula: C25H23Cl2N5OS MolecularWeight: 512.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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