7-bromanyl-4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H18BrN3O3S MolecularWeight: 472.35492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CC=C4OC

InChI

InChI=1S/C21H18BrN3O3S/c1-3-25-20(16-6-4-5-7-17(16)27-2)23-24-21(25)29-12-13-10-19(26)28-18-11-14(22)8-9-15(13)18/h4-11H,3,12H2,1-2H3