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

Systemtic Name: (2S)-2-methyl-3-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2S)-3-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: (2S)-2-methyl-3-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2S)-3-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanenitrile Traditional Name: (2S)-3-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3)C#N

Isomeric SMILES

C[C@H](CSC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C18H17N5S/c1-14(10-19)13-24-18-22-21-17(16-8-5-9-20-11-16)23(18)12-15-6-3-2-4-7-15/h2-9,11,14H,12-13H2,1H3/t14-/m0/s1