3-chloranyl-N'-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzohydrazide

Systemtic Name: 3-chloranyl-N'-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: 3-chloro-N'-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzohydrazide CAS Name: 3-chloro-N'-[5-nitro-6-(phenylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-chloro-N'-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: 3-chloro-N'-[5-nitro-6-(phenylthio)pyrimidin-4-yl]benzohydrazide Formula: C17H12ClN5O3S MolecularWeight: 401.82688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN5O3S/c18-12-6-4-5-11(9-12)16(24)22-21-15-14(23(25)26)17(20-10-19-15)27-13-7-2-1-3-8-13/h1-10H,(H,22,24)(H,19,20,21)