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

Systemtic Name: 1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(4-propan-2-ylphenyl)urea Openeye Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-(4-isopropylphenyl)urea CAS Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3-(4-propan-2-ylphenyl)urea IUPAC Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-(4-propan-2-ylphenyl)urea Traditional Name: 1-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-p-cumenyl-urea Formula: C28H30ClN5OS MolecularWeight: 520.0887

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN5OS/c1-18(2)22-11-14-24(15-12-22)31-27(35)30-20(4)26-32-33-28(36-17-21-8-6-5-7-9-21)34(26)25-16-23(29)13-10-19(25)3/h5-16,18,20H,17H2,1-4H3,(H2,30,31,35)