4-(4-methylphenyl)sulfanyl-3-nitro-N'-pyrimidin-2-yl-benzohydrazide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N'-pyrimidin-2-yl-benzohydrazide Openeye Name: 3-nitro-4-(p-tolylsulfanyl)-N'-pyrimidin-2-yl-benzohydrazide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N'-(2-pyrimidinyl)benzohydrazide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N'-pyrimidin-2-ylbenzohydrazide Traditional Name: 3-nitro-4-(p-tolylthio)-N'-(2-pyrimidyl)benzohydrazide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NNC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NNC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c1-12-3-6-14(7-4-12)27-16-8-5-13(11-15(16)23(25)26)17(24)21-22-18-19-9-2-10-20-18/h2-11H,1H3,(H,21,24)(H,19,20,22)