1-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-prop-2-enyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C17H16N4OS MolecularWeight: 324.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CC=C)C2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CC=C)C2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-3-9-21-16(19-20-17(21)23-11-12(2)22)14-6-7-15-13(10-14)5-4-8-18-15/h3-8,10H,1,9,11H2,2H3