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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H19N3O2S/c1-14-17-9-5-6-10-19(17)27-20(14)18(26)13-28-22-24-23-21(15-11-12-15)25(22)16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3