2-[[4-azanyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC)C

InChI

InChI=1S/C22H23N5O3S/c1-4-14-8-5-7-13(2)19(14)24-18(28)12-31-22-26-25-21(27(22)23)17-11-15-9-6-10-16(29-3)20(15)30-17/h5-11H,4,12,23H2,1-3H3,(H,24,28)