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

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzofuran-2-yl)ethanone Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylbenzofuran-2-yl)ethanone CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-2-benzofuranyl)ethanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-1-benzofuran-2-yl)ethanone Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(3-methylbenzofuran-2-yl)ethanone Formula: C23H21N3O2S MolecularWeight: 403.49674

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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)C5CC5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H21N3O2S/c1-15-18-9-5-6-10-20(18)28-21(15)19(27)14-29-23-25-24-22(17-11-12-17)26(23)13-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3