1-(5-bromanylthiophen-2-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H15BrN4O2S2 MolecularWeight: 487.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(S3)Br)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(S3)Br)C4=CC=NC=C4

InChI

InChI=1S/C20H15BrN4O2S2/c1-27-15-4-2-14(3-5-15)25-19(13-8-10-22-11-9-13)23-24-20(25)28-12-16(26)17-6-7-18(21)29-17/h2-11H,12H2,1H3