(E)-3-azanyl-2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NNC(=N1)C2CCCC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NNC(=N1)C2CCCC2)/N

InChI

InChI=1S/C13H17N5OS/c1-8(15)10(6-14)11(19)7-20-13-16-12(17-18-13)9-4-2-3-5-9/h9H,2-5,7,15H2,1H3,(H,16,17,18)/b10-8+