N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide

Systemtic Name: N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H17N5O3S/c1-14-9-11-16(12-10-14)31-22-19(27(29)30)20(23-13-24-22)25-26-21(28)18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,26,28)(H,23,24,25)