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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2S/c18-8-13-12-5-1-2-6-14(12)25-17(13)21-15(23)16(24)22-20-10-11-4-3-7-19-9-11/h3-4,7,9-10H,1-2,5-6H2,(H,21,23)(H,22,24)/b20-10+