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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3S/c19-15-12-13(23(24)25)2-3-14(15)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