2-(azepan-1-ylsulfanyl)-1,3-benzothiazole

Systemtic Name: 2-(azepan-1-ylsulfanyl)-1,3-benzothiazole Openeye Name: 2-(azepan-1-ylsulfanyl)-1,3-benzothiazole CAS Name: 2-(1-azepanylthio)-1,3-benzothiazole IUPAC Name: 2-(azepan-1-ylsulfanyl)-1,3-benzothiazole Traditional Name: 2-(azepan-1-ylthio)-1,3-benzothiazole Formula: C13H16N2S2 MolecularWeight: 264.40954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCCN(CC1)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H16N2S2/c1-2-6-10-15(9-5-1)17-13-14-11-7-3-4-8-12(11)16-13/h3-4,7-8H,1-2,5-6,9-10H2