S-(isoquinolin-1-ylmethyl) ethanethioate

Systemtic Name: S-(isoquinolin-1-ylmethyl) ethanethioate Openeye Name: S-(1-isoquinolylmethyl) ethanethioate CAS Name: ethanethioic acid S-(1-isoquinolinylmethyl) ester IUPAC Name: S-(isoquinolin-1-ylmethyl) ethanethioate Traditional Name: ethanethioic acid S-(1-isoquinolylmethyl) ester Formula: C12H11NOS MolecularWeight: 217.28684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=NC=CC2=CC=CC=C21

Isomeric SMILES

CC(=O)SCC1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C12H11NOS/c1-9(14)15-8-12-11-5-3-2-4-10(11)6-7-13-12/h2-7H,8H2,1H3