N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(E)-pyridin-4-ylmethylideneamino]ethanediamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(E)-pyridin-4-ylmethylideneamino]ethanediamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N'-[(E)-4-pyridylmethyleneamino]oxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(E)-pyridin-4-ylmethylideneamino]oxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-[(E)-pyridin-4-ylmethylideneamino]oxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N'-[(E)-4-pyridylmethyleneamino]oxamide Formula: C17H15N5O2S MolecularWeight: 353.3983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NN=CC3=CC=NC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)N/N=C/C3=CC=NC=C3)C#N

InChI

InChI=1S/C17H15N5O2S/c18-9-13-12-3-1-2-4-14(12)25-17(13)21-15(23)16(24)22-20-10-11-5-7-19-8-6-11/h5-8,10H,1-4H2,(H,21,23)(H,22,24)/b20-10+