(2S)-3-azanyl-2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-3-enenitrile

Systemtic Name: (2S)-3-azanyl-2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-3-enenitrile Openeye Name: (2S)-3-amino-2-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-3-enenitrile CAS Name: (2S)-3-amino-2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-butenenitrile IUPAC Name: (2S)-3-amino-2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-3-enenitrile Traditional Name: (2S)-3-amino-2-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]but-3-enenitrile Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C(C#N)C(=C)N)C2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[C@H](C#N)C(=C)N)C2=CC=NC=C2

InChI

InChI=1S/C14H14N6OS/c1-9(16)11(7-15)12(21)8-22-14-19-18-13(20(14)2)10-3-5-17-6-4-10/h3-6,11H,1,8,16H2,2H3/t11-/m1/s1