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

Systemtic Name: 2-ethyl-6-(2H-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one Openeye Name: 2-ethyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one CAS Name: 2-ethyl-6-(2H-tetrazol-5-yl)-9-thioxanthenone IUPAC Name: 2-ethyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one Traditional Name: 2-ethyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4

Isomeric SMILES

CCC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4

InChI

InChI=1S/C16H12N4OS/c1-2-9-3-6-13-12(7-9)15(21)11-5-4-10(8-14(11)22-13)16-17-19-20-18-16/h3-8H,2H2,1H3,(H,17,18,19,20)