O-ethyl [(3R)-4-(benzotriazol-1-yl)-1-cyano-4-methyl-pentan-3-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [(3R)-4-(benzotriazol-1-yl)-1-cyano-4-methyl-pentan-3-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(1R)-2-(benzotriazol-1-yl)-1-(2-cyanoethyl)-2-methyl-propyl]sulfanylmethanethioate CAS Name: [[(3R)-4-(1-benzotriazolyl)-1-cyano-4-methylpentan-3-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(3R)-4-(benzotriazol-1-yl)-1-cyano-4-methylpentan-3-yl]sulfanylmethanethioate Traditional Name: [[(1R)-2-(benzotriazol-1-yl)-1-(2-cyanoethyl)-2-methyl-propyl]thio]methanethioic acid O-ethyl ester Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4OS2/c1-4-21-15(22)23-14(10-7-11-17)16(2,3)20-13-9-6-5-8-12(13)18-19-20/h5-6,8-9,14H,4,7,10H2,1-3H3/t14-/m1/s1