methyl (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(4-methylphenyl)but-3-enimidothioate

Systemtic Name: methyl (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(4-methylphenyl)but-3-enimidothioate Openeye Name: methyl (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(p-tolyl)but-3-enimidothioate CAS Name: (2R)-2-(1-benzotriazolyl)-2-ethoxy-N-(4-methylphenyl)-3-butenimidothioic acid methyl ester IUPAC Name: methyl (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(4-methylphenyl)but-3-enimidothioate Traditional Name: (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(p-tolyl)but-3-enimidothioic acid methyl ester Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C=C)(C(=NC1=CC=C(C=C1)C)SC)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCO[C@](C=C)(C(=NC1=CC=C(C=C1)C)SC)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H22N4OS/c1-5-20(25-6-2,24-18-10-8-7-9-17(18)22-23-24)19(26-4)21-16-13-11-15(3)12-14-16/h5,7-14H,1,6H2,2-4H3/t20-/m1/s1