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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-bromo-2-thienyl)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(5-bromo-2-thienyl)ethanone Formula: C17H14BrN3OS2 MolecularWeight: 420.34656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3OS2/c1-2-10-21-16(12-6-4-3-5-7-12)19-20-17(21)23-11-13(22)14-8-9-15(18)24-14/h2-9H,1,10-11H2