N-[2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]ethanethioamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]ethanethioamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]thioacetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]ethanethioamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]ethanethioamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]thioacetamide Formula: C12H9N3S2 MolecularWeight: 259.34996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC=C(C#N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=S)NC=C(C#N)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H9N3S2/c1-8(16)14-7-9(6-13)12-15-10-4-2-3-5-11(10)17-12/h2-5,7H,1H3,(H,14,16)