5-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)-2H-1,2,3,4-tetrazole

Systemtic Name: 5-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)-2H-1,2,3,4-tetrazole Openeye Name: 5-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)-2H-tetrazole CAS Name: 5-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)-2H-tetrazole IUPAC Name: 5-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)-2H-tetrazole Traditional Name: 5-(5,6-dihydrobenzo[b][1]benzothiepin-2-yl)-2H-tetrazole Formula: C15H12N4S MolecularWeight: 280.34758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2SC3=C1C=CC(=C3)C4=NNN=N4

Isomeric SMILES

C1CC2=CC=CC=C2SC3=C1C=CC(=C3)C4=NNN=N4

InChI

InChI=1S/C15H12N4S/c1-2-4-13-10(3-1)5-6-11-7-8-12(9-14(11)20-13)15-16-18-19-17-15/h1-4,7-9H,5-6H2,(H,16,17,18,19)