(5S)-5-methyl-N'-(4-nitrophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-5-methyl-N'-(4-nitrophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-5-methyl-N'-(4-nitrobenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-5-methyl-N'-[(4-nitrophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-5-methyl-N'-(4-nitrobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-5-methyl-N'-(4-nitrobenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-10-2-7-14-12(8-10)9-15(25-14)17(22)19-18-16(21)11-3-5-13(6-4-11)20(23)24/h3-6,9-10H,2,7-8H2,1H3,(H,18,21)(H,19,22)/t10-/m0/s1