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

Systemtic Name: (2S)-3-azanyl-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-3-enenitrile Openeye Name: (2S)-3-amino-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-3-enenitrile CAS Name: (2S)-3-amino-2-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-butenenitrile IUPAC Name: (2S)-3-amino-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-3-enenitrile Traditional Name: (2S)-3-amino-2-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]but-3-enenitrile Formula: C9H11N5OS MolecularWeight: 237.28154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)C(C#N)C(=C)N

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5OS/c1-6(11)7(3-10)8(15)4-16-9-13-12-5-14(9)2/h5,7H,1,4,11H2,2H3/t7-/m1/s1