N-(2-methylsulfanylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S2/c1-3-11-24-19(14-7-6-8-15(12-14)25(27)28)22-23-20(24)30-13-18(26)21-16-9-4-5-10-17(16)29-2/h4-10,12H,3,11,13H2,1-2H3,(H,21,26)