2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-yl-ethanamide

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-quinolyl)acetamide CAS Name: 2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-quinolinyl)acetamide IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-4-ylacetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-quinolyl)acetamide Formula: C21H18N6OS MolecularWeight: 402.47222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C21H18N6OS/c1-2-12-27-20(15-6-5-10-22-13-15)25-26-21(27)29-14-19(28)24-18-9-11-23-17-8-4-3-7-16(17)18/h2-11,13H,1,12,14H2,(H,23,24,28)