2-(2-hydroxyethylsulfanyl)-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-6-(2H-1,2,3,4-tetrazol-5-yl)xanthen-9-one Openeye Name: 2-(2-hydroxyethylsulfanyl)-6-(2H-tetrazol-5-yl)xanthen-9-one CAS Name: 2-(2-hydroxyethylthio)-6-(2H-tetrazol-5-yl)-9-xanthenone IUPAC Name: 2-(2-hydroxyethylsulfanyl)-6-(2H-tetrazol-5-yl)xanthen-9-one Traditional Name: 2-(2-hydroxyethylthio)-6-(2H-tetrazol-5-yl)xanthone Formula: C16H12N4O3S MolecularWeight: 340.35648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C3=NNN=N3)OC4=C(C2=O)C=C(C=C4)SCCO

Isomeric SMILES

C1=CC2=C(C=C1C3=NNN=N3)OC4=C(C2=O)C=C(C=C4)SCCO

InChI

InChI=1S/C16H12N4O3S/c21-5-6-24-10-2-4-13-12(8-10)15(22)11-3-1-9(7-14(11)23-13)16-17-19-20-18-16/h1-4,7-8,21H,5-6H2,(H,17,18,19,20)