O-ethyl [(2R)-1-(benzotriazol-1-yl)-4-cyano-butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [(2R)-1-(benzotriazol-1-yl)-4-cyano-butan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(1R)-1-(benzotriazol-1-ylmethyl)-3-cyano-propyl]sulfanylmethanethioate CAS Name: [[(2R)-1-(1-benzotriazolyl)-4-cyanobutan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(2R)-1-(benzotriazol-1-yl)-4-cyanobutan-2-yl]sulfanylmethanethioate Traditional Name: [[(1R)-1-(benzotriazol-1-ylmethyl)-3-cyano-propyl]thio]methanethioic acid O-ethyl ester Formula: C14H16N4OS2 MolecularWeight: 320.43304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC#N)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

CCOC(=S)S[C@H](CCC#N)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H16N4OS2/c1-2-19-14(20)21-11(6-5-9-15)10-18-13-8-4-3-7-12(13)16-17-18/h3-4,7-8,11H,2,5-6,10H2,1H3/t11-/m1/s1