N-[2-nitro-4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide

Systemtic Name: N-[2-nitro-4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[2-nitro-4-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[2-nitro-4-[1-oxo-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]phenyl]acetamide IUPAC Name: N-[2-nitro-4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[2-nitro-4-[2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]acetamide Formula: C23H18N6O4S MolecularWeight: 474.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O4S/c1-15(30)25-19-8-7-17(13-20(19)29(32)33)21(31)14-34-23-27-26-22(16-9-11-24-12-10-16)28(23)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,30)