(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Systemtic Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-4-(carbamothioylhydrazono)-3-methyl-N-(3-pyridylmethyl)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-N-(3-pyridinylmethyl)-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-3-methyl-N-(3-pyridylmethyl)-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C17H19N5O2S/c1-10-14-12(21-22-17(18)25)5-2-6-13(14)24-15(10)16(23)20-9-11-4-3-7-19-8-11/h3-4,7-8H,2,5-6,9H2,1H3,(H,20,23)(H3,18,22,25)/b21-12+