2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)CC

InChI

InChI=1S/C21H23N3OS/c1-3-5-16-8-10-17(11-9-16)19(25)14-26-21-22-20(23-24-21)18-12-6-15(4-2)7-13-18/h6-13H,3-5,14H2,1-2H3,(H,22,23,24)