1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-indan-5-yl-ethanone CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-indan-5-yl-ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=C(CCC3)C=C2)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=C(CCC3)C=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c1-2-24-20(16-7-4-3-5-8-16)22-23-21(24)26-14-19(25)18-12-11-15-9-6-10-17(15)13-18/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3