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

Systemtic Name: 1-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetone Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C24H27N3O2S/c1-18(28)17-30-24-26-25-23(27(24)21-10-6-3-7-11-21)16-29-22-14-12-20(13-15-22)19-8-4-2-5-9-19/h3,6-7,10-15,19H,2,4-5,8-9,16-17H2,1H3