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

Systemtic Name: 1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(3,5-dimethoxyphenyl)urea Openeye Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-(3,5-dimethoxyphenyl)urea CAS Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3-(3,5-dimethoxyphenyl)urea IUPAC Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-(3,5-dimethoxyphenyl)urea Traditional Name: 1-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-(3,5-dimethoxyphenyl)urea Formula: C27H28ClN5O3S MolecularWeight: 538.06092

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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=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C27H28ClN5O3S/c1-17-10-11-20(28)12-24(17)33-25(31-32-27(33)37-16-19-8-6-5-7-9-19)18(2)29-26(34)30-21-13-22(35-3)15-23(14-21)36-4/h5-15,18H,16H2,1-4H3,(H2,29,30,34)