3-(2,4-dimethoxyphenyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(2,4-dimethoxyphenyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2,4-dimethoxyphenyl)-5-[(5-phenylisoxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2,4-dimethoxyphenyl)-5-[(5-phenyl-3-isoxazolyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2,4-dimethoxyphenyl)-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2,4-dimethoxyphenyl)-5-[(5-phenylisoxazol-3-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC3=NOC(=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(N2N)SCC3=NOC(=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C20H19N5O3S/c1-26-15-8-9-16(18(11-15)27-2)19-22-23-20(25(19)21)29-12-14-10-17(28-24-14)13-6-4-3-5-7-13/h3-11H,12,21H2,1-2H3