3-[2-cyanoethyl-[(4-phenyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[(4-phenyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[4-phenyl-3-(1-piperidyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[[4-phenyl-3-(1-piperidinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(4-phenyl-3-piperidin-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[(4-phenyl-3-piperidino-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]propionitrile Formula: C20H25N7S MolecularWeight: 395.5244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN(C(=S)N2C3=CC=CC=C3)CN(CCC#N)CCC#N

Isomeric SMILES

C1CCN(CC1)C2=NN(C(=S)N2C3=CC=CC=C3)CN(CCC#N)CCC#N

InChI

InChI=1S/C20H25N7S/c21-11-7-13-24(14-8-12-22)17-26-20(28)27(18-9-3-1-4-10-18)19(23-26)25-15-5-2-6-16-25/h1,3-4,9-10H,2,5-8,13-17H2