(6S)-6-[(2S)-2-ethylsulfanylpropyl]-3-propyl-1,5,6,7-tetrahydroindazol-4-one

Systemtic Name: (6S)-6-[(2S)-2-ethylsulfanylpropyl]-3-propyl-1,5,6,7-tetrahydroindazol-4-one Openeye Name: (6S)-6-[(2S)-2-ethylsulfanylpropyl]-3-propyl-1,5,6,7-tetrahydroindazol-4-one CAS Name: (6S)-6-[(2S)-2-(ethylthio)propyl]-3-propyl-1,5,6,7-tetrahydroindazol-4-one IUPAC Name: (6S)-6-[(2S)-2-ethylsulfanylpropyl]-3-propyl-1,5,6,7-tetrahydroindazol-4-one Traditional Name: (6S)-6-[(2S)-2-(ethylthio)propyl]-3-propyl-1,5,6,7-tetrahydroindazol-4-one Formula: C15H24N2OS MolecularWeight: 280.42886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC2=C1C(=O)CC(C2)CC(C)SCC

Isomeric SMILES

CCCC1=NNC2=C1C(=O)C[C@H](C2)C[C@H](C)SCC

InChI

InChI=1S/C15H24N2OS/c1-4-6-12-15-13(17-16-12)8-11(9-14(15)18)7-10(3)19-5-2/h10-11H,4-9H2,1-3H3,(H,16,17)/t10-,11-/m0/s1