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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3)C#N

Isomeric SMILES

C[C@H](CSC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3)C#N

InChI

InChI=1S/C17H21N5S/c1-14(12-18)13-23-17-20-19-16(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/t14-/m0/s1