5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-phenyl-tetrazole CAS Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-phenyltetrazole IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-phenyltetrazole Traditional Name: 5-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-phenyl-tetrazole Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4)OC1

InChI

InChI=1S/C17H16N4O2S/c1-2-5-13(6-3-1)21-17(18-19-20-21)12-24-14-7-8-15-16(11-14)23-10-4-9-22-15/h1-3,5-8,11H,4,9-10,12H2