3-(isoquinolin-1-ylsulfanylmethyl)-1,2-oxazole

Systemtic Name: 3-(isoquinolin-1-ylsulfanylmethyl)-1,2-oxazole Openeye Name: 3-(1-isoquinolylsulfanylmethyl)isoxazole CAS Name: 3-[(1-isoquinolinylthio)methyl]isoxazole IUPAC Name: 3-(isoquinolin-1-ylsulfanylmethyl)-1,2-oxazole Traditional Name: 3-[(1-isoquinolylthio)methyl]isoxazole Formula: C13H10N2OS MolecularWeight: 242.2963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SCC3=NOC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCC3=NOC=C3

InChI

InChI=1S/C13H10N2OS/c1-2-4-12-10(3-1)5-7-14-13(12)17-9-11-6-8-16-15-11/h1-8H,9H2