N'-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC(=C2C)C

InChI

InChI=1S/C21H23N5O5S2/c1-4-5-9-25-20(29)17-12(2)13(3)33-19(17)22-21(25)32-11-16(27)23-24-18(28)14-7-6-8-15(10-14)26(30)31/h6-8,10H,4-5,9,11H2,1-3H3,(H,23,27)(H,24,28)