2-(2-pyridin-4-ylethyl)-1,3,2-benzodithiazole

Systemtic Name: 2-(2-pyridin-4-ylethyl)-1,3,2-benzodithiazole Openeye Name: 2-[2-(4-pyridyl)ethyl]-1,3,2-benzodithiazole CAS Name: 2-(2-pyridin-4-ylethyl)-1,3,2-benzodithiazole IUPAC Name: 2-(2-pyridin-4-ylethyl)-1,3,2-benzodithiazole Traditional Name: 2-[2-(4-pyridyl)ethyl]-1,3,2-benzodithiazole Formula: C13H12N2S2 MolecularWeight: 260.37778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SN(S2)CCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)SN(S2)CCC3=CC=NC=C3

InChI

InChI=1S/C13H12N2S2/c1-2-4-13-12(3-1)16-15(17-13)10-7-11-5-8-14-9-6-11/h1-6,8-9H,7,10H2