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

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H18BrN3OS2 MolecularWeight: 436.38902

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)C3=CC(=CC=C3)C

InChI

InChI=1S/C18H18BrN3OS2/c1-3-9-22-17(13-6-4-5-12(2)10-13)20-21-18(22)24-11-14(23)15-7-8-16(19)25-15/h4-8,10H,3,9,11H2,1-2H3