1-[4-(2-chloranyl-5-isothiocyanato-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(2-chloranyl-5-isothiocyanato-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(2-chloro-5-isothiocyanato-phenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-chloro-5-isothiocyanatophenyl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(2-chloro-5-isothiocyanatophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-chloro-5-isothiocyanato-phenyl)piperazino]ethanone Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)N=C=S)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)N=C=S)Cl

InChI

InChI=1S/C13H14ClN3OS/c1-10(18)16-4-6-17(7-5-16)13-8-11(15-9-19)2-3-12(13)14/h2-3,8H,4-7H2,1H3