N-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=C(C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C(\C)/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C16H16ClN5O3S/c1-9-6-10(2)19-16(18-9)26-8-15(23)21-20-11(3)12-4-5-13(17)14(7-12)22(24)25/h4-7H,8H2,1-3H3,(H,21,23)/b20-11+