S-[4-[2-(methylamino)pyridin-4-yl]butyl] ethanethioate

Systemtic Name: S-[4-[2-(methylamino)pyridin-4-yl]butyl] ethanethioate Openeye Name: S-[4-[2-(methylamino)-4-pyridyl]butyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-(methylamino)-4-pyridinyl]butyl] ester IUPAC Name: S-[4-[2-(methylamino)pyridin-4-yl]butyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-(methylamino)-4-pyridyl]butyl] ester Formula: C12H18N2OS MolecularWeight: 238.34912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCC1=CC(=NC=C1)NC

Isomeric SMILES

CC(=O)SCCCCC1=CC(=NC=C1)NC

InChI

InChI=1S/C12H18N2OS/c1-10(15)16-8-4-3-5-11-6-7-14-12(9-11)13-2/h6-7,9H,3-5,8H2,1-2H3,(H,13,14)