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

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H19N3O2S/c26-18(20-12-17-8-4-5-9-19(17)27-20)14-28-22-24-23-21(16-10-11-16)25(22)13-15-6-2-1-3-7-15/h1-9,12,16H,10-11,13-14H2