(4E)-N,N-bis(cyanomethyl)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Systemtic Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-N,N-bis(cyanomethyl)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-N,N-bis(cyanomethyl)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)N(CC#N)CC#N

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C21H20N6O2S/c1-14-18-16(25-26-21(30)24-15-6-3-2-4-7-15)8-5-9-17(18)29-19(14)20(28)27(12-10-22)13-11-23/h2-4,6-7H,5,8-9,12-13H2,1H3,(H2,24,26,30)/b25-16+