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

Systemtic Name: O-ethyl [(1R,2S)-1-(benzotriazol-1-yl)-4-cyano-1-ethoxy-butan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(1S)-1-[(R)-benzotriazol-1-yl(ethoxy)methyl]-3-cyano-propyl]sulfanylmethanethioate CAS Name: [[(1R,2S)-1-(1-benzotriazolyl)-4-cyano-1-ethoxybutan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(1R,2S)-1-(benzotriazol-1-yl)-4-cyano-1-ethoxybutan-2-yl]sulfanylmethanethioate Traditional Name: [[(1S)-1-[(R)-benzotriazol-1-yl(ethoxy)methyl]-3-cyano-propyl]thio]methanethioic acid O-ethyl ester Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CCC#N)SC(=S)OCC)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CCO[C@H]([C@H](CCC#N)SC(=S)OCC)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N4O2S2/c1-3-21-15(14(10-7-11-17)24-16(23)22-4-2)20-13-9-6-5-8-12(13)18-19-20/h5-6,8-9,14-15H,3-4,7,10H2,1-2H3/t14-,15+/m0/s1