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

Systemtic Name: 1-(4-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS/c1-3-14-9-11-15(12-10-14)17(23)13(2)24-19-20-18(21-22-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,20,21,22)