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

Systemtic Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=NC=C3

InChI

InChI=1S/C20H21BrN4O2S/c1-27-13-12-25-19(16-8-10-22-11-9-16)23-24-20(25)28-14-2-3-18(26)15-4-6-17(21)7-5-15/h4-11H,2-3,12-14H2,1H3