3-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-propan-1-one

Systemtic Name: 3-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-propan-1-one Openeye Name: 3-(4-nitrophenyl)sulfanyl-1-piperazin-1-yl-propan-1-one CAS Name: 3-[(4-nitrophenyl)thio]-1-(1-piperazinyl)-1-propanone IUPAC Name: 3-(4-nitrophenyl)sulfanyl-1-piperazin-1-ylpropan-1-one Traditional Name: 3-[(4-nitrophenyl)thio]-1-piperazino-propan-1-one Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S/c17-13(15-8-6-14-7-9-15)5-10-20-12-3-1-11(2-4-12)16(18)19/h1-4,14H,5-10H2