6-tert-butyl-2-(2H-1,2,3,4-tetrazol-5-yl)thiochromen-4-one

Systemtic Name: 6-tert-butyl-2-(2H-1,2,3,4-tetrazol-5-yl)thiochromen-4-one Openeye Name: 6-tert-butyl-2-(2H-tetrazol-5-yl)thiochromen-4-one CAS Name: 6-tert-butyl-2-(2H-tetrazol-5-yl)-1-benzothiopyran-4-one IUPAC Name: 6-tert-butyl-2-(2H-tetrazol-5-yl)thiochromen-4-one Traditional Name: 6-tert-butyl-2-(2H-tetrazol-5-yl)thiochromen-4-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)SC(=CC2=O)C3=NNN=N3

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)SC(=CC2=O)C3=NNN=N3

InChI

InChI=1S/C14H14N4OS/c1-14(2,3)8-4-5-11-9(6-8)10(19)7-12(20-11)13-15-17-18-16-13/h4-7H,1-3H3,(H,15,16,17,18)