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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-phenyl-tetrazole CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-phenyltetrazole IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-phenyltetrazole Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-phenyl-tetrazole Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=NN=NN3C4=CC=CC=C4)OC1

InChI

InChI=1S/C16H14N4O2S/c1-2-5-12(6-3-1)20-16(17-18-19-20)23-13-7-8-14-15(11-13)22-10-4-9-21-14/h1-3,5-8,11H,4,9-10H2