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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C25H24N4O2S/c1-3-4-18-5-7-19(8-6-18)23(30)17-32-25-28-27-24(20-13-15-26-16-14-20)29(25)21-9-11-22(31-2)12-10-21/h5-16H,3-4,17H2,1-2H3