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

Systemtic Name: 4-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5S/c18-11-5-8-14-23-17-20-19-16(21-12-6-2-7-13-21)22(17)15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,12-14H2