S-(4-ethylphenyl) N-but-2-ynylcarbamothioate

Systemtic Name: S-(4-ethylphenyl) N-but-2-ynylcarbamothioate Openeye Name: S-(4-ethylphenyl) N-but-2-ynylcarbamothioate CAS Name: N-but-2-ynylcarbamothioic acid S-(4-ethylphenyl) ester IUPAC Name: S-(4-ethylphenyl) N-but-2-ynylcarbamothioate Traditional Name: N-but-2-ynylthiocarbamic acid S-(4-ethylphenyl) ester Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC(=O)NCC#CC

Isomeric SMILES

CCC1=CC=C(C=C1)SC(=O)NCC#CC

InChI

InChI=1S/C13H15NOS/c1-3-5-10-14-13(15)16-12-8-6-11(4-2)7-9-12/h6-9H,4,10H2,1-2H3,(H,14,15)