2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-ethanone Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C23H19BrN4O2S/c1-2-30-20-9-3-16(4-10-20)21(29)15-31-23-27-26-22(17-11-13-25-14-12-17)28(23)19-7-5-18(24)6-8-19/h3-14H,2,15H2,1H3