1-[2,6-bis(chloranyl)phenyl]-3-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]urea

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]-3-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,6-dichlorophenyl)urea CAS Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3-(2,6-dichlorophenyl)urea IUPAC Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,6-dichlorophenyl)urea Traditional Name: 1-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,6-dichlorophenyl)urea Formula: C25H22Cl3N5OS MolecularWeight: 546.89908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)NC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)NC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C25H22Cl3N5OS/c1-15-11-12-18(26)13-21(15)33-23(31-32-25(33)35-14-17-7-4-3-5-8-17)16(2)29-24(34)30-22-19(27)9-6-10-20(22)28/h3-13,16H,14H2,1-2H3,(H2,29,30,34)