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

Systemtic Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-N-(3-nitrophenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-4-(carbamothioylhydrazono)-3-methyl-N-(3-nitrophenyl)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-N-(3-nitrophenyl)-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-N-(3-nitrophenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-3-methyl-N-(3-nitrophenyl)-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-9-14-12(20-21-17(18)27)6-3-7-13(14)26-15(9)16(23)19-10-4-2-5-11(8-10)22(24)25/h2,4-5,8H,3,6-7H2,1H3,(H,19,23)(H3,18,21,27)/b20-12+