4-propyl-3-(quinolin-8-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-propyl-3-(quinolin-8-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-propyl-3-(8-quinolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-propyl-3-(8-quinolinylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-propyl-3-(quinolin-8-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-propyl-3-(8-quinolylmethylthio)-1H-1,2,4-triazol-5-one Formula: C15H16N4OS MolecularWeight: 300.37874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C15H16N4OS/c1-2-9-19-14(20)17-18-15(19)21-10-12-6-3-5-11-7-4-8-16-13(11)12/h3-8H,2,9-10H2,1H3,(H,17,20)