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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=CN1C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=CN1C)/N

InChI

InChI=1S/C9H11N5OS/c1-6(11)7(3-10)8(15)4-16-9-13-12-5-14(9)2/h5H,4,11H2,1-2H3/b7-6+