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

Systemtic Name: 1-(3-methyl-1-benzofuran-2-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylbenzofuran-2-yl)ethanone CAS Name: 1-(3-methyl-2-benzofuranyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-1-benzofuran-2-yl)ethanone Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3-methylbenzofuran-2-yl)ethanone Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O2S/c1-14-17-10-6-7-11-19(17)26-20(14)18(25)13-27-21-23-22-15(2)24(21)12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3