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

Systemtic Name: 3-chloranyl-N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 3-chloro-N'-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 3-chloro-N'-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 3-chloro-N'-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]benzohydrazide Formula: C18H14ClN5O3S MolecularWeight: 415.85346

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5O3S/c1-11-5-7-14(8-6-11)28-18-15(24(26)27)16(20-10-21-18)22-23-17(25)12-3-2-4-13(19)9-12/h2-10H,1H3,(H,23,25)(H,20,21,22)