3-[4-[5-(2-nitrophenyl)furan-2-yl]carbothioylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[5-(2-nitrophenyl)furan-2-yl]carbothioylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-[5-(2-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[[5-(2-nitrophenyl)-2-furanyl]-sulfanylidenemethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[5-(2-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[5-(2-nitrophenyl)furan-2-carbothioyl]piperazino]propionitrile Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c19-8-3-9-20-10-12-21(13-11-20)18(26)17-7-6-16(25-17)14-4-1-2-5-15(14)22(23)24/h1-2,4-7H,3,9-13H2