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

Systemtic Name: 1-(3-methyl-1-benzothiophen-2-yl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylbenzothiophen-2-yl)ethanone CAS Name: 1-(3-methyl-1-benzothiophen-2-yl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylbenzothiophen-2-yl)ethanone Formula: C25H20N4OS2 MolecularWeight: 456.5825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C25H20N4OS2/c1-17-20-9-5-6-10-22(20)32-23(17)21(30)16-31-25-28-27-24(19-11-13-26-14-12-19)29(25)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3