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

Systemtic Name: 3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionitrile Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCCC#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCCC#N

InChI

InChI=1S/C16H19N5S/c17-10-7-13-22-16-19-18-15(20-11-5-2-6-12-20)21(16)14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,11-13H2