N'-[2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanylacetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17N5O5S/c1-13-10-18(27)24(15-7-3-2-4-8-15)20(21-13)31-12-17(26)22-23-19(28)14-6-5-9-16(11-14)25(29)30/h2-11H,12H2,1H3,(H,22,26)(H,23,28)