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

Systemtic Name: methyl (2R)-2-(benzotriazol-1-yl)-N-(2-chlorophenyl)-2-ethoxy-but-3-enimidothioate Openeye Name: methyl (2R)-2-(benzotriazol-1-yl)-N-(2-chlorophenyl)-2-ethoxy-but-3-enimidothioate CAS Name: (2R)-2-(1-benzotriazolyl)-N-(2-chlorophenyl)-2-ethoxy-3-butenimidothioic acid methyl ester IUPAC Name: methyl (2R)-2-(benzotriazol-1-yl)-N-(2-chlorophenyl)-2-ethoxybut-3-enimidothioate Traditional Name: (2R)-2-(benzotriazol-1-yl)-N-(2-chlorophenyl)-2-ethoxy-but-3-enimidothioic acid methyl ester Formula: C19H19ClN4OS MolecularWeight: 386.89836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C=C)(C(=NC1=CC=CC=C1Cl)SC)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCO[C@](C=C)(C(=NC1=CC=CC=C1Cl)SC)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H19ClN4OS/c1-4-19(25-5-2,24-17-13-9-8-12-16(17)22-23-24)18(26-3)21-15-11-7-6-10-14(15)20/h4,6-13H,1,5H2,2-3H3/t19-/m1/s1