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

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

CC(C)CN1C(=NN=C1SC(C)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SC(C)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O2S/c1-15(2)14-25-21(18-10-12-19(27-4)13-11-18)23-24-22(25)28-16(3)20(26)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3