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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O2S/c1-4-5-15-25-21(18-11-13-19(27-3)14-12-18)23-24-22(25)28-16(2)20(26)17-9-7-6-8-10-17/h6-14,16H,4-5,15H2,1-3H3