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

Systemtic Name: 1-(1H-indol-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)ethanone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O2S/c1-3-12-26-21(16-9-5-7-11-20(16)28-2)24-25-22(26)29-14-19(27)17-13-23-18-10-6-4-8-15(17)18/h3-11,13,23H,1,12,14H2,2H3