3-[(2S)-butan-2-yl]sulfanyl-4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazole

Systemtic Name: 3-[(2S)-butan-2-yl]sulfanyl-4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(3-methoxy-1-methyl-pyrazol-4-yl)-5-[(1S)-1-methylpropyl]sulfanyl-1,2,4-triazole CAS Name: 3-[[(2S)-butan-2-yl]thio]-4-ethyl-5-(3-methoxy-1-methyl-4-pyrazolyl)-1,2,4-triazole IUPAC Name: 3-[(2S)-butan-2-yl]sulfanyl-4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(3-methoxy-1-methyl-pyrazol-4-yl)-5-[[(1S)-1-methylpropyl]thio]-1,2,4-triazole Formula: C13H21N5OS MolecularWeight: 295.40374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1CC)C2=CN(N=C2OC)C

Isomeric SMILES

CC[C@H](C)SC1=NN=C(N1CC)C2=CN(N=C2OC)C

InChI

InChI=1S/C13H21N5OS/c1-6-9(3)20-13-15-14-11(18(13)7-2)10-8-17(4)16-12(10)19-5/h8-9H,6-7H2,1-5H3/t9-/m0/s1