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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-1-benzofuran-2-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylbenzofuran-2-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-2-benzofuranyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-1-benzofuran-2-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylbenzofuran-2-yl)ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C21H18N4O2S/c1-13-16-6-2-3-7-18(16)27-19(13)17(26)12-28-21-24-23-20(25(21)15-8-9-15)14-5-4-10-22-11-14/h2-7,10-11,15H,8-9,12H2,1H3