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

Systemtic Name: 2-[[4-azanyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[4-amino-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide Formula: C19H16IN5O3S MolecularWeight: 521.33151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C19H16IN5O3S/c1-27-14-4-2-3-11-9-15(28-17(11)14)18-23-24-19(25(18)21)29-10-16(26)22-13-7-5-12(20)6-8-13/h2-9H,10,21H2,1H3,(H,22,26)