S-(3-propylphenyl) N-but-3-ynylcarbamothioate

Systemtic Name: S-(3-propylphenyl) N-but-3-ynylcarbamothioate Openeye Name: S-(3-propylphenyl) N-but-3-ynylcarbamothioate CAS Name: N-but-3-ynylcarbamothioic acid S-(3-propylphenyl) ester IUPAC Name: S-(3-propylphenyl) N-but-3-ynylcarbamothioate Traditional Name: N-but-3-ynylthiocarbamic acid S-(3-propylphenyl) ester Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)SC(=O)NCCC#C

Isomeric SMILES

CCCC1=CC(=CC=C1)SC(=O)NCCC#C

InChI

InChI=1S/C14H17NOS/c1-3-5-10-15-14(16)17-13-9-6-8-12(11-13)7-4-2/h1,6,8-9,11H,4-5,7,10H2,2H3,(H,15,16)