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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylbenzothiophen-2-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-benzothiophen-2-yl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylbenzothiophen-2-yl)ethanone Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5

InChI

InChI=1S/C25H20N4O2S2/c1-16-20-5-3-4-6-22(20)33-23(16)21(30)15-32-25-28-27-24(17-11-13-26-14-12-17)29(25)18-7-9-19(31-2)10-8-18/h3-14H,15H2,1-2H3