S-(4-bromophenyl) N-pent-2-ynylcarbamothioate

Systemtic Name: S-(4-bromophenyl) N-pent-2-ynylcarbamothioate Openeye Name: S-(4-bromophenyl) N-pent-2-ynylcarbamothioate CAS Name: N-pent-2-ynylcarbamothioic acid S-(4-bromophenyl) ester IUPAC Name: S-(4-bromophenyl) N-pent-2-ynylcarbamothioate Traditional Name: N-pent-2-ynylthiocarbamic acid S-(4-bromophenyl) ester Formula: C12H12BrNOS MolecularWeight: 298.19878

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCNC(=O)SC1=CC=C(C=C1)Br

Isomeric SMILES

CCC#CCNC(=O)SC1=CC=C(C=C1)Br

InChI

InChI=1S/C12H12BrNOS/c1-2-3-4-9-14-12(15)16-11-7-5-10(13)6-8-11/h5-8H,2,9H2,1H3,(H,14,15)