(E)-3-azanyl-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C13H10ClN3OS2 MolecularWeight: 323.821

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(S1)C=CC(=C2)Cl)/N

InChI

InChI=1S/C13H10ClN3OS2/c1-7(16)9(5-15)11(18)6-19-13-17-10-4-8(14)2-3-12(10)20-13/h2-4H,6,16H2,1H3/b9-7+