1-(4-methyl-3-nitro-phenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC(=CC=C3)C

InChI

InChI=1S/C21H22N4O3S/c1-4-10-24-20(17-7-5-6-14(2)11-17)22-23-21(24)29-13-19(26)16-9-8-15(3)18(12-16)25(27)28/h5-9,11-12H,4,10,13H2,1-3H3