N'-(4,6-dimethylpyrimidin-2-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzohydrazide

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzohydrazide Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-isopentylsulfanyl-3-nitro-benzohydrazide CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-4-(3-methylbutylthio)-3-nitrobenzohydrazide IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-(3-methylbutylsulfanyl)-3-nitrobenzohydrazide Traditional Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-(isoamylthio)-3-nitro-benzohydrazide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N5O3S/c1-11(2)7-8-27-16-6-5-14(10-15(16)23(25)26)17(24)21-22-18-19-12(3)9-13(4)20-18/h5-6,9-11H,7-8H2,1-4H3,(H,21,24)(H,19,20,22)