(E)-3-azanyl-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C11H15N5OS2 MolecularWeight: 297.3997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C11H15N5OS2/c1-6(2)14-10-15-16-11(19-10)18-5-9(17)8(4-12)7(3)13/h6H,5,13H2,1-3H3,(H,14,15)/b8-7+