3-(4-phenylphthalazin-1-yl)sulfanylpropanenitrile

Systemtic Name: 3-(4-phenylphthalazin-1-yl)sulfanylpropanenitrile Openeye Name: 3-(4-phenylphthalazin-1-yl)sulfanylpropanenitrile CAS Name: 3-[(4-phenyl-1-phthalazinyl)thio]propanenitrile IUPAC Name: 3-(4-phenylphthalazin-1-yl)sulfanylpropanenitrile Traditional Name: 3-[(4-phenylphthalazin-1-yl)thio]propionitrile Formula: C17H13N3S MolecularWeight: 291.37022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCC#N

InChI

InChI=1S/C17H13N3S/c18-11-6-12-21-17-15-10-5-4-9-14(15)16(19-20-17)13-7-2-1-3-8-13/h1-5,7-10H,6,12H2