1-(4-nitrophenyl)-2-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-nitrophenyl)-2-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-nitrophenyl)-2-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-nitrophenyl)-2-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(4-amylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-2-3-4-5-15-6-8-17(9-7-15)20-22-21(24-23-20)29-14-19(26)16-10-12-18(13-11-16)25(27)28/h6-13H,2-5,14H2,1H3,(H,22,23,24)