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

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN3O2S/c23-17-11-7-8-13-19(17)28-15-21-24-25-22(26(21)16-9-3-1-4-10-16)29-20-14-6-2-5-12-18(20)27/h1,3-4,7-11,13,20H,2,5-6,12,14-15H2