2-(pyridin-4-ylmethylsulfanyl)-1,3-benzothiazole

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-1,3-benzothiazole Openeye Name: 2-(4-pyridylmethylsulfanyl)-1,3-benzothiazole CAS Name: 2-(pyridin-4-ylmethylthio)-1,3-benzothiazole IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-1,3-benzothiazole Traditional Name: 2-(4-pyridylmethylthio)-1,3-benzothiazole Formula: C13H10N2S2 MolecularWeight: 258.3619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=NC=C3

InChI

InChI=1S/C13H10N2S2/c1-2-4-12-11(3-1)15-13(17-12)16-9-10-5-7-14-8-6-10/h1-8H,9H2