S-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate

Systemtic Name: S-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate Openeye Name: S-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid S-[3-(1H-imidazol-5-yl)propyl] ester IUPAC Name: S-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid S-[3-(1H-imidazol-5-yl)propyl] ester Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)SCCCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)SCCCC2=CN=CN2

InChI

InChI=1S/C13H15N3OS/c17-13(16-11-5-2-1-3-6-11)18-8-4-7-12-9-14-10-15-12/h1-3,5-6,9-10H,4,7-8H2,(H,14,15)(H,16,17)