1-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,6-dimethylphenyl)urea

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,6-dimethylphenyl)urea Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,6-dimethylphenyl)urea CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-(2,6-dimethylphenyl)urea IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,6-dimethylphenyl)urea Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-(2,6-dimethylphenyl)urea Formula: C27H28ClN5O2S MolecularWeight: 522.06152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN5O2S/c1-17-11-12-21(28)14-23(17)33-24(15-29-26(34)30-25-18(2)7-5-8-19(25)3)31-32-27(33)36-16-20-9-6-10-22(13-20)35-4/h5-14H,15-16H2,1-4H3,(H2,29,30,34)