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

Systemtic Name: 3-ethyl-6-(2H-1,2,3,4-tetrazol-5-yl)-1,2,3,4-tetrahydrothioxanthen-9-one Openeye Name: 3-ethyl-6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydrothioxanthen-9-one CAS Name: 3-ethyl-6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydrothioxanthen-9-one IUPAC Name: 3-ethyl-6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydrothioxanthen-9-one Traditional Name: 3-ethyl-6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydrothioxanthen-9-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4

Isomeric SMILES

CCC1CCC2=C(C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4

InChI

InChI=1S/C16H16N4OS/c1-2-9-3-5-11-13(7-9)22-14-8-10(16-17-19-20-18-16)4-6-12(14)15(11)21/h4,6,8-9H,2-3,5,7H2,1H3,(H,17,18,19,20)