2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,4,5-tetramethylphenyl)ethanone

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,4,5-tetramethylphenyl)ethanone Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,4,5-tetramethylphenyl)ethanone CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2,3,4,5-tetramethylphenyl)ethanone IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3,4,5-tetramethylphenyl)ethanone Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2,3,4,5-tetramethylphenyl)ethanone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC)C)C)C

InChI

InChI=1S/C21H22ClN3O2S/c1-11-8-16(14(4)13(3)12(11)2)18(26)10-28-21-23-20(24-25-21)17-9-15(22)6-7-19(17)27-5/h6-9H,10H2,1-5H3,(H,23,24,25)