N-[(E)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-(2-phenylhydrazinyl)pent-4-enyl]ethanamide

Systemtic Name: N-[(E)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-(2-phenylhydrazinyl)pent-4-enyl]ethanamide Openeye Name: N-[(E)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-(2-phenylhydrazino)pent-4-enyl]acetamide CAS Name: N-[(E)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-(phenylhydrazo)pent-4-enyl]acetamide IUPAC Name: N-[(E)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-(2-phenylhydrazinyl)pent-4-enyl]acetamide Traditional Name: N-[(E)-5-(1,3-benzothiazol-2-yl)-5-cyano-4-(N'-phenylhydrazino)pent-4-enyl]acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC(=C(C#N)C1=NC2=CC=CC=C2S1)NNC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCC/C(=C(/C#N)\C1=NC2=CC=CC=C2S1)/NNC3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-15(27)23-13-7-11-18(26-25-16-8-3-2-4-9-16)17(14-22)21-24-19-10-5-6-12-20(19)28-21/h2-6,8-10,12,25-26H,7,11,13H2,1H3,(H,23,27)/b18-17+