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

Systemtic Name: (2S)-2-methyl-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: (2S)-3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanenitrile CAS Name: (2S)-2-methyl-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: (2S)-2-methyl-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2S)-3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionitrile Formula: C14H15N5S MolecularWeight: 285.3674

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1CC=C)C2=CC=NC=C2)C#N

Isomeric SMILES

C[C@H](CSC1=NN=C(N1CC=C)C2=CC=NC=C2)C#N

InChI

InChI=1S/C14H15N5S/c1-3-8-19-13(12-4-6-16-7-5-12)17-18-14(19)20-10-11(2)9-15/h3-7,11H,1,8,10H2,2H3/t11-/m0/s1