2-(4-chlorophenyl)sulfanyl-5-nitro-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[(E)-1-(3-pyridyl)ethylideneamino]benzamide CAS Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-[(E)-1-(3-pyridinyl)ethylideneamino]benzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-[(E)-1-(3-pyridyl)ethylideneamino]benzamide Formula: C20H15ClN4O3S MolecularWeight: 426.8761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O3S/c1-13(14-3-2-10-22-12-14)23-24-20(26)18-11-16(25(27)28)6-9-19(18)29-17-7-4-15(21)5-8-17/h2-12H,1H3,(H,24,26)/b23-13+