(2S)-4-methyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pent-4-en-2-ol

Systemtic Name: (2S)-4-methyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pent-4-en-2-ol Openeye Name: (2S)-4-methyl-1-(1-phenyltetrazol-5-yl)sulfanyl-pent-4-en-2-ol CAS Name: (2S)-4-methyl-1-[(1-phenyl-5-tetrazolyl)thio]-4-penten-2-ol IUPAC Name: (2S)-4-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpent-4-en-2-ol Traditional Name: (2S)-4-methyl-1-[(1-phenyltetrazol-5-yl)thio]pent-4-en-2-ol Formula: C13H16N4OS MolecularWeight: 276.35734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(CSC1=NN=NN1C2=CC=CC=C2)O

Isomeric SMILES

CC(=C)C[C@@H](CSC1=NN=NN1C2=CC=CC=C2)O

InChI

InChI=1S/C13H16N4OS/c1-10(2)8-12(18)9-19-13-14-15-16-17(13)11-6-4-3-5-7-11/h3-7,12,18H,1,8-9H2,2H3/t12-/m0/s1