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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-indan-5-yl-ethanone CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,3-dihydro-1H-inden-5-yl)ethanone IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-indan-5-yl-ethanone Formula: C17H21N3OS MolecularWeight: 315.43314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C17H21N3OS/c1-17(2,3)15-18-16(20-19-15)22-10-14(21)13-8-7-11-5-4-6-12(11)9-13/h7-9H,4-6,10H2,1-3H3,(H,18,19,20)