3-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]thiochromen-4-one

Systemtic Name: 3-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]thiochromen-4-one Openeye Name: 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]thiochromen-4-one CAS Name: 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1-benzothiopyran-4-one IUPAC Name: 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]thiochromen-4-one Traditional Name: 3-[4-(2H-tetrazol-5-yl)benzyl]thiochromen-4-one Formula: C17H12N4OS MolecularWeight: 320.36838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CS2)CC3=CC=C(C=C3)C4=NNN=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CS2)CC3=CC=C(C=C3)C4=NNN=N4

InChI

InChI=1S/C17H12N4OS/c22-16-13(10-23-15-4-2-1-3-14(15)16)9-11-5-7-12(8-6-11)17-18-20-21-19-17/h1-8,10H,9H2,(H,18,19,20,21)