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

Systemtic Name: 2-propoxy-6-(2H-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one Openeye Name: 2-propoxy-6-(2H-tetrazol-5-yl)thioxanthen-9-one CAS Name: 2-propoxy-6-(2H-tetrazol-5-yl)-9-thioxanthenone IUPAC Name: 2-propoxy-6-(2H-tetrazol-5-yl)thioxanthen-9-one Traditional Name: 2-propoxy-6-(2H-tetrazol-5-yl)thioxanthen-9-one Formula: C17H14N4O2S MolecularWeight: 338.38366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4

Isomeric SMILES

CCCOC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4

InChI

InChI=1S/C17H14N4O2S/c1-2-7-23-11-4-6-14-13(9-11)16(22)12-5-3-10(8-15(12)24-14)17-18-20-21-19-17/h3-6,8-9H,2,7H2,1H3,(H,18,19,20,21)