2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-3-11-23-19(14-7-9-17(28-2)10-8-14)21-22-20(23)29-13-18(25)15-5-4-6-16(12-15)24(26)27/h3-10,12H,1,11,13H2,2H3