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

Systemtic Name: O-ethyl [(2R)-4-(benzotriazol-1-yl)-1-cyano-butan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(1R)-3-(benzotriazol-1-yl)-1-(cyanomethyl)propyl]sulfanylmethanethioate CAS Name: [[(2R)-4-(1-benzotriazolyl)-1-cyanobutan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(2R)-4-(benzotriazol-1-yl)-1-cyanobutan-2-yl]sulfanylmethanethioate Traditional Name: [[(1R)-3-(benzotriazol-1-yl)-1-(cyanomethyl)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(CCN1C2=CC=CC=C2N=N1)CC#N

Isomeric SMILES

CCOC(=S)S[C@H](CCN1C2=CC=CC=C2N=N1)CC#N

InChI

InChI=1S/C14H16N4OS2/c1-2-19-14(20)21-11(7-9-15)8-10-18-13-6-4-3-5-12(13)16-17-18/h3-6,11H,2,7-8,10H2,1H3/t11-/m0/s1