(E)-4-(benzotriazol-1-yl)-5-(2-fluorophenyl)-N-(4-methoxyphenyl)pent-3-enethioamide

Systemtic Name: (E)-4-(benzotriazol-1-yl)-5-(2-fluorophenyl)-N-(4-methoxyphenyl)pent-3-enethioamide Openeye Name: (E)-4-(benzotriazol-1-yl)-5-(2-fluorophenyl)-N-(4-methoxyphenyl)pent-3-enethioamide CAS Name: (E)-4-(1-benzotriazolyl)-5-(2-fluorophenyl)-N-(4-methoxyphenyl)-3-pentenethioamide IUPAC Name: (E)-4-(benzotriazol-1-yl)-5-(2-fluorophenyl)-N-(4-methoxyphenyl)pent-3-enethioamide Traditional Name: (E)-4-(benzotriazol-1-yl)-5-(2-fluorophenyl)-N-(4-methoxyphenyl)pent-3-enethioamide Formula: C24H21FN4OS MolecularWeight: 432.513143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN4OS/c1-30-20-13-10-18(11-14-20)26-24(31)15-12-19(16-17-6-2-3-7-21(17)25)29-23-9-5-4-8-22(23)27-28-29/h2-14H,15-16H2,1H3,(H,26,31)/b19-12+