methyl (2R)-2-(benzotriazol-1-yl)-N-butyl-2-ethoxy-but-3-enimidothioate

Systemtic Name: methyl (2R)-2-(benzotriazol-1-yl)-N-butyl-2-ethoxy-but-3-enimidothioate Openeye Name: methyl (2R)-2-(benzotriazol-1-yl)-N-butyl-2-ethoxy-but-3-enimidothioate CAS Name: (2R)-2-(1-benzotriazolyl)-N-butyl-2-ethoxy-3-butenimidothioic acid methyl ester IUPAC Name: methyl (2R)-2-(benzotriazol-1-yl)-N-butyl-2-ethoxybut-3-enimidothioate Traditional Name: (2R)-2-(benzotriazol-1-yl)-N-butyl-2-ethoxy-but-3-enimidothioic acid methyl ester Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C(C=C)(N1C2=CC=CC=C2N=N1)OCC)SC

Isomeric SMILES

CCCCN=C([C@](C=C)(N1C2=CC=CC=C2N=N1)OCC)SC

InChI

InChI=1S/C17H24N4OS/c1-5-8-13-18-16(23-4)17(6-2,22-7-3)21-15-12-10-9-11-14(15)19-20-21/h6,9-12H,2,5,7-8,13H2,1,3-4H3/t17-/m1/s1