N-[4-(2H-1,2,3,4-tetrazol-5-yloxy)phenyl]-1,4-dithiepan-6-amine

Systemtic Name: N-[4-(2H-1,2,3,4-tetrazol-5-yloxy)phenyl]-1,4-dithiepan-6-amine Openeye Name: N-[4-(2H-tetrazol-5-yloxy)phenyl]-1,4-dithiepan-6-amine CAS Name: N-[4-(2H-tetrazol-5-yloxy)phenyl]-1,4-dithiepan-6-amine IUPAC Name: N-[4-(2H-tetrazol-5-yloxy)phenyl]-1,4-dithiepan-6-amine Traditional Name: 1,4-dithiepan-6-yl-[4-(2H-tetrazol-5-yloxy)phenyl]amine Formula: C12H15N5OS2 MolecularWeight: 309.4104

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CS1)NC2=CC=C(C=C2)OC3=NNN=N3

Isomeric SMILES

C1CSCC(CS1)NC2=CC=C(C=C2)OC3=NNN=N3

InChI

InChI=1S/C12H15N5OS2/c1-3-11(18-12-14-16-17-15-12)4-2-9(1)13-10-7-19-5-6-20-8-10/h1-4,10,13H,5-8H2,(H,14,15,16,17)