N-(4-pyridin-4-ylsulfanylisoquinolin-1-yl)-1,3-benzothiazol-6-amine

Systemtic Name: N-(4-pyridin-4-ylsulfanylisoquinolin-1-yl)-1,3-benzothiazol-6-amine Openeye Name: N-[4-(4-pyridylsulfanyl)-1-isoquinolyl]-1,3-benzothiazol-6-amine CAS Name: N-[4-(pyridin-4-ylthio)-1-isoquinolinyl]-1,3-benzothiazol-6-amine IUPAC Name: N-(4-pyridin-4-ylsulfanylisoquinolin-1-yl)-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[4-(4-pyridylthio)-1-isoquinolyl]amine Formula: C21H14N4S2 MolecularWeight: 386.49266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2NC3=CC4=C(C=C3)N=CS4)SC5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2NC3=CC4=C(C=C3)N=CS4)SC5=CC=NC=C5

InChI

InChI=1S/C21H14N4S2/c1-2-4-17-16(3-1)20(27-15-7-9-22-10-8-15)12-23-21(17)25-14-5-6-18-19(11-14)26-13-24-18/h1-13H,(H,23,25)