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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-bromo-2-thienyl)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(5-bromo-2-thienyl)ethanone Formula: C16H13BrN4OS2 MolecularWeight: 421.33462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)C3=CC=NC=C3

InChI

InChI=1S/C16H13BrN4OS2/c1-2-9-21-15(11-5-7-18-8-6-11)19-20-16(21)23-10-12(22)13-3-4-14(17)24-13/h2-8H,1,9-10H2