5-ethyl-5-methyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline

Systemtic Name: 5-ethyl-5-methyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline Openeye Name: 5-ethyl-5-methyl-3-(2-thienyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline CAS Name: 5-ethyl-5-methyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline IUPAC Name: 5-ethyl-5-methyl-3-thiophen-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinoline Traditional Name: 5-ethyl-5-methyl-3-(2-thienyl)-6H-[1,2,4]triazol[3,4-a]isoquinoline Formula: C17H17N3S MolecularWeight: 295.40198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=CS4)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=CS4)C

InChI

InChI=1S/C17H17N3S/c1-3-17(2)11-12-7-4-5-8-13(12)15-18-19-16(20(15)17)14-9-6-10-21-14/h4-10H,3,11H2,1-2H3