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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylbenzothiophen-2-yl)ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-benzothiophen-2-yl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone Traditional Name: 2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylbenzothiophen-2-yl)ethanone Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5

InChI

InChI=1S/C23H18N4O2S2/c1-15-18-8-2-3-9-20(18)31-21(15)19(28)14-30-23-26-25-22(16-6-4-10-24-12-16)27(23)13-17-7-5-11-29-17/h2-12H,13-14H2,1H3