5-benzo[b][1]benzothiepin-2-yl-2H-1,2,3,4-tetrazole

Systemtic Name: 5-benzo[b][1]benzothiepin-2-yl-2H-1,2,3,4-tetrazole Openeye Name: 5-benzo[b][1]benzothiepin-2-yl-2H-tetrazole CAS Name: 5-(2-benzo[b][1]benzothiepinyl)-2H-tetrazole IUPAC Name: 5-benzo[b][1]benzothiepin-2-yl-2H-tetrazole Traditional Name: 5-benzo[b][1]benzothiepin-2-yl-2H-tetrazole Formula: C15H10N4S MolecularWeight: 278.3317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(S2)C=C(C=C3)C4=NNN=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(S2)C=C(C=C3)C4=NNN=N4

InChI

InChI=1S/C15H10N4S/c1-2-4-13-10(3-1)5-6-11-7-8-12(9-14(11)20-13)15-16-18-19-17-15/h1-9H,(H,16,17,18,19)