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

Systemtic Name: 4-butyl-3-(quinolin-8-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-(8-quinolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-(8-quinolinylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-(quinolin-8-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-(8-quinolylmethylthio)-1H-1,2,4-triazol-5-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C16H18N4OS/c1-2-3-10-20-15(21)18-19-16(20)22-11-13-7-4-6-12-8-5-9-17-14(12)13/h4-9H,2-3,10-11H2,1H3,(H,18,21)