methyl (2S)-2-(benzotriazol-1-yl)-2-[(2-fluorophenyl)methyl]-N-phenyl-but-3-enimidothioate

Systemtic Name: methyl (2S)-2-(benzotriazol-1-yl)-2-[(2-fluorophenyl)methyl]-N-phenyl-but-3-enimidothioate Openeye Name: methyl (2S)-2-(benzotriazol-1-yl)-2-[(2-fluorophenyl)methyl]-N-phenyl-but-3-enimidothioate CAS Name: (2S)-2-(1-benzotriazolyl)-2-[(2-fluorophenyl)methyl]-N-phenyl-3-butenimidothioic acid methyl ester IUPAC Name: methyl (2S)-2-(benzotriazol-1-yl)-2-[(2-fluorophenyl)methyl]-N-phenylbut-3-enimidothioate Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-(2-fluorobenzyl)-N-phenyl-but-3-enimidothioic acid methyl ester Formula: C24H21FN4S MolecularWeight: 416.513743

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)C(CC2=CC=CC=C2F)(C=C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CSC(=NC1=CC=CC=C1)[C@](CC2=CC=CC=C2F)(C=C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H21FN4S/c1-3-24(17-18-11-7-8-14-20(18)25,23(30-2)26-19-12-5-4-6-13-19)29-22-16-10-9-15-21(22)27-28-29/h3-16H,1,17H2,2H3/t24-/m1/s1