1-[2,6-bis(chloranyl)phenyl]-3-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]-3-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-(2,6-dichlorophenyl)-3-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]urea CAS Name: 1-(2,6-dichlorophenyl)-3-[1-[5-[(3-methoxyphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea IUPAC Name: 1-(2,6-dichlorophenyl)-3-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea Traditional Name: 1-(2,6-dichlorophenyl)-3-[1-[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]urea Formula: C26H25Cl2N5O2S MolecularWeight: 542.48

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25Cl2N5O2S/c1-16-10-12-19(13-11-16)33-24(17(2)29-25(34)30-23-21(27)8-5-9-22(23)28)31-32-26(33)36-15-18-6-4-7-20(14-18)35-3/h4-14,17H,15H2,1-3H3,(H2,29,30,34)