4-ethylsulfanyl-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

Systemtic Name: 4-ethylsulfanyl-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide Openeye Name: 4-ethylsulfanyl-3-nitro-N-[4-(4-pyridylmethyl)phenyl]benzamide CAS Name: 4-(ethylthio)-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide IUPAC Name: 4-ethylsulfanyl-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide Traditional Name: 4-(ethylthio)-3-nitro-N-[4-(4-pyridylmethyl)phenyl]benzamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3S/c1-2-28-20-8-5-17(14-19(20)24(26)27)21(25)23-18-6-3-15(4-7-18)13-16-9-11-22-12-10-16/h3-12,14H,2,13H2,1H3,(H,23,25)