4-chloranyl-N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: 4-chloranyl-N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-N'-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]benzohydrazide Formula: C18H13ClN6O5S MolecularWeight: 460.85102

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN6O5S/c1-10-2-5-12(6-3-10)31-18-15(25(29)30)16(20-9-21-18)22-23-17(26)11-4-7-13(19)14(8-11)24(27)28/h2-9H,1H3,(H,23,26)(H,20,21,22)