2-tert-butyl-6-(2H-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one

Systemtic Name: 2-tert-butyl-6-(2H-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one Openeye Name: 2-tert-butyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one CAS Name: 2-tert-butyl-6-(2H-tetrazol-5-yl)-9-thioxanthenone IUPAC Name: 2-tert-butyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one Traditional Name: 2-tert-butyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4

InChI

InChI=1S/C18H16N4OS/c1-18(2,3)11-5-7-14-13(9-11)16(23)12-6-4-10(8-15(12)24-14)17-19-21-22-20-17/h4-9H,1-3H3,(H,19,20,21,22)