1-(4-bromophenyl)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3

InChI

InChI=1S/C18H17BrN4OS/c1-23-17(14-8-10-20-11-9-14)21-22-18(23)25-12-2-3-16(24)13-4-6-15(19)7-5-13/h4-11H,2-3,12H2,1H3