3-[4-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]carbothioylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]carbothioylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-[5-(4-chloro-2-nitro-phenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[[5-(4-chloro-2-nitrophenyl)-2-furanyl]-sulfanylidenemethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[5-(4-chloro-2-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[5-(4-chloro-2-nitro-phenyl)furan-2-carbothioyl]piperazino]propionitrile Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O3S/c19-13-2-3-14(15(12-13)23(24)25)16-4-5-17(26-16)18(27)22-10-8-21(9-11-22)7-1-6-20/h2-5,12H,1,7-11H2