2-[[1-(3-methoxypropyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[1-(3-methoxypropyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[1-(3-methoxypropyl)tetrazol-5-yl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[1-(3-methoxypropyl)-5-tetrazolyl]thio]-1,3-benzothiazole IUPAC Name: 2-[1-(3-methoxypropyl)tetrazol-5-yl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[1-(3-methoxypropyl)tetrazol-5-yl]thio]-1,3-benzothiazole Formula: C12H13N5OS2 MolecularWeight: 307.39452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=N1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

COCCCN1C(=NN=N1)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H13N5OS2/c1-18-8-4-7-17-11(14-15-16-17)20-12-13-9-5-2-3-6-10(9)19-12/h2-3,5-6H,4,7-8H2,1H3