9-butyl-3-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)-5H-thiochromeno[4,3-b]pyran-4-one

Systemtic Name: 9-butyl-3-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)-5H-thiochromeno[4,3-b]pyran-4-one Openeye Name: 9-butyl-3-methyl-2-(2H-tetrazol-5-yl)-5H-thiochromeno[4,3-b]pyran-4-one CAS Name: 9-butyl-3-methyl-2-(2H-tetrazol-5-yl)-5H-thiochromeno[4,3-b]pyran-4-one IUPAC Name: 9-butyl-3-methyl-2-(2H-tetrazol-5-yl)-5H-thiochromeno[4,3-b]pyran-4-one Traditional Name: 9-butyl-3-methyl-2-(2H-tetrazol-5-yl)-5H-thiochromeno[4,3-b]pyran-4-one Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SCC3=C2OC(=C(C3=O)C)C4=NNN=N4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SCC3=C2OC(=C(C3=O)C)C4=NNN=N4

InChI

InChI=1S/C18H18N4O2S/c1-3-4-5-11-6-7-14-12(8-11)17-13(9-25-14)15(23)10(2)16(24-17)18-19-21-22-20-18/h6-8H,3-5,9H2,1-2H3,(H,19,20,21,22)