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

Systemtic Name: 2-propan-2-yl-6-(2H-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one Openeye Name: 2-isopropyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one CAS Name: 2-propan-2-yl-6-(2H-tetrazol-5-yl)-9-thioxanthenone IUPAC Name: 2-propan-2-yl-6-(2H-tetrazol-5-yl)thioxanthen-9-one Traditional Name: 2-isopropyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4OS/c1-9(2)10-4-6-14-13(7-10)16(22)12-5-3-11(8-15(12)23-14)17-18-20-21-19-17/h3-9H,1-2H3,(H,18,19,20,21)