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

Systemtic Name: 3-[4-(5-phenylfuran-2-yl)carbothioylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(5-phenylfuran-2-carbothioyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(5-phenyl-2-furanyl)-sulfanylidenemethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(5-phenylfuran-2-carbothioyl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(5-phenylfuran-2-carbothioyl)piperazino]propionitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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

Isomeric SMILES

C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c19-9-4-10-20-11-13-21(14-12-20)18(23)17-8-7-16(22-17)15-5-2-1-3-6-15/h1-3,5-8H,4,10-14H2