2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H21N5S MolecularWeight: 327.44714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C17H21N5S/c1-14(12-18)23-17-20-19-16(13-21-10-6-3-7-11-21)22(17)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-11,13H2,1H3