2-(2H-1,2,3,4-tetrazol-5-ylmethyl)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 2-(2H-1,2,3,4-tetrazol-5-ylmethyl)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 2-(2H-tetrazol-5-ylmethyl)-6H-benzo[b][1]benzothiepin-5-one CAS Name: 2-(2H-tetrazol-5-ylmethyl)-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 2-(2H-tetrazol-5-ylmethyl)-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 2-(2H-tetrazol-5-ylmethyl)-6H-benzo[b][1]benzothiepin-5-one Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)CC4=NNN=N4

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)CC4=NNN=N4

InChI

InChI=1S/C16H12N4OS/c21-13-9-11-3-1-2-4-14(11)22-15-7-10(5-6-12(13)15)8-16-17-19-20-18-16/h1-7H,8-9H2,(H,17,18,19,20)