9-(2H-1,2,3,4-tetrazol-5-ylmethyl)-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 9-(2H-1,2,3,4-tetrazol-5-ylmethyl)-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 9-(2H-tetrazol-5-ylmethyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 9-(2H-tetrazol-5-ylmethyl)-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 9-(2H-tetrazol-5-ylmethyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 9-(2H-tetrazol-5-ylmethyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C15H11N5OS MolecularWeight: 309.34574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)CC4=NNN=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)CC4=NNN=N4

InChI

InChI=1S/C15H11N5OS/c21-15-10-6-5-9(8-14-17-19-20-18-14)7-13(10)22-12-4-2-1-3-11(12)16-15/h1-7H,8H2,(H,16,21)(H,17,18,19,20)