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

Systemtic Name: (E)-3-azanyl-2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C11H13N5OS MolecularWeight: 263.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=CN1C2CC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=CN1C2CC2)/N

InChI

InChI=1S/C11H13N5OS/c1-7(13)9(4-12)10(17)5-18-11-15-14-6-16(11)8-2-3-8/h6,8H,2-3,5,13H2,1H3/b9-7+