5-(phenylmethyl)-4-propyl-1,2-thiazol-3-one

Systemtic Name: 5-(phenylmethyl)-4-propyl-1,2-thiazol-3-one Openeye Name: 5-benzyl-4-propyl-isothiazol-3-one CAS Name: 5-(phenylmethyl)-4-propyl-3-isothiazolone IUPAC Name: 5-benzyl-4-propyl-1,2-thiazol-3-one Traditional Name: 5-benzyl-4-propyl-4-isothiazolin-3-one Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SNC1=O)CC2=CC=CC=C2

Isomeric SMILES

CCCC1=C(SNC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H15NOS/c1-2-6-11-12(16-14-13(11)15)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,14,15)