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4-[1-(2-azanylethylsulfanyl)-2-nitro-ethyl]benzenecarbonitrile

4-[1-(2-azanylethylsulfanyl)-2-nitro-ethyl]benzenecarbonitrile

Systemtic Name:4-[1-(2-azanylethylsulfanyl)-2-nitro-ethyl]benzenecarbonitrile
Openeye Name:4-[1-(2-aminoethylsulfanyl)-2-nitro-ethyl]benzonitrile
CAS Name:4-[1-(2-aminoethylthio)-2-nitroethyl]benzonitrile
IUPAC Name:4-[1-(2-aminoethylsulfanyl)-2-nitroethyl]benzonitrile
Traditional Name:4-[1-(2-aminoethylthio)-2-nitro-ethyl]benzonitrile
Formula: C11H13N3O2S
MolecularWeight: 251.30482
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C[N+](=O)[O-])SCCN


Isomeric SMILES

C1=CC(=CC=C1C#N)C(C[N+](=O)[O-])SCCN


InChI

InChI=1S/C11H13N3O2S/c12-5-6-17-11(8-14(15)16)10-3-1-9(7-13)2-4-10/h1-4,11H,5-6,8,12H2


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