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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)COC4=CC=CC=C4Cl

Isomeric SMILES

C1CC1N2C(=NN=C2SCCCC(=O)C3=CC=CC=C3)COC4=CC=CC=C4Cl

InChI

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