2-[[5-[(2-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCCCCC2=O)COC3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=NN=C1SC2CCCCCC2=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C17H20ClN3O2S/c1-21-16(11-23-14-9-6-5-7-12(14)18)19-20-17(21)24-15-10-4-2-3-8-13(15)22/h5-7,9,15H,2-4,8,10-11H2,1H3