S-(3-phenylpropyl) 1H-pyrrole-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) 1H-pyrrole-2-carbothioate Openeye Name: S-(3-phenylpropyl) 1H-pyrrole-2-carbothioate CAS Name: 1H-pyrrole-2-carbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 1H-pyrrole-2-carbothioate Traditional Name: 1H-pyrrole-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C14H15NOS MolecularWeight: 245.34

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC(=O)C2=CC=CN2

Isomeric SMILES

C1=CC=C(C=C1)CCCSC(=O)C2=CC=CN2

InChI

InChI=1S/C14H15NOS/c16-14(13-9-4-10-15-13)17-11-5-8-12-6-2-1-3-7-12/h1-4,6-7,9-10,15H,5,8,11H2