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

Systemtic Name: N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]benzohydrazide Formula: C18H15N5O3S MolecularWeight: 381.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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