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

Systemtic Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-benzofuran-2-yl)ethanone Openeye Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(benzofuran-2-yl)ethanone CAS Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-benzofuranyl)ethanone IUPAC Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-benzofuran-2-yl)ethanone Traditional Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(benzofuran-2-yl)ethanone Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)N

InChI

InChI=1S/C19H16N4O2S/c1-23-18(12-6-8-14(20)9-7-12)21-22-19(23)26-11-15(24)17-10-13-4-2-3-5-16(13)25-17/h2-10H,11,20H2,1H3