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

Systemtic Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C15H17N5S MolecularWeight: 299.39398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5S/c16-9-12-21-15-18-17-14(19-10-5-2-6-11-19)20(15)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,10-12H2