2-(benzotriazol-1-yl)-2-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)but-3-enethioamide

Systemtic Name: 2-(benzotriazol-1-yl)-2-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)but-3-enethioamide Openeye Name: 2-(benzotriazol-1-yl)-2-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)but-3-enethioamide CAS Name: 2-(1-benzotriazolyl)-2-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-3-butenethioamide IUPAC Name: 2-(benzotriazol-1-yl)-2-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)but-3-enethioamide Traditional Name: 2-(benzotriazol-1-yl)-2-(2-fluorobenzyl)-N-(4-methoxyphenyl)but-3-enethioamide Formula: C24H21FN4OS MolecularWeight: 432.513143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)C(CC2=CC=CC=C2F)(C=C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)C(CC2=CC=CC=C2F)(C=C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H21FN4OS/c1-3-24(16-17-8-4-5-9-20(17)25,29-22-11-7-6-10-21(22)27-28-29)23(31)26-18-12-14-19(30-2)15-13-18/h3-15H,1,16H2,2H3,(H,26,31)