2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one

Systemtic Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Openeye Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one CAS Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)-1-propanone IUPAC Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Traditional Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)propan-1-one Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)C2=CC(=C(C=C2C)C)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)C2=CC(=C(C=C2C)C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H26N4OS/c1-6-11-26-21(18-7-9-23-10-8-18)24-25-22(26)28-17(5)20(27)19-13-15(3)14(2)12-16(19)4/h7-10,12-13,17H,6,11H2,1-5H3