1-(4-methoxy-3-nitro-phenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 1-(4-methoxy-3-nitrophenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c1-4-11-24-20(15-7-5-14(2)6-8-15)22-23-21(24)30-13-18(26)16-9-10-19(29-3)17(12-16)25(27)28/h4-10,12H,1,11,13H2,2-3H3