2-[[5-[[(4-fluorophenyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-hydroxyphenyl)ethanamide

Systemtic Name: 2-[[5-[[(4-fluorophenyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-hydroxyphenyl)ethanamide Openeye Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-hydroxyphenyl)acetamide CAS Name: 2-[[5-[(4-fluoroanilino)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-hydroxyphenyl)acetamide IUPAC Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-hydroxyphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(3-hydroxyphenyl)acetamide Formula: C24H22FN5O2S MolecularWeight: 463.527183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)O)CNC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)O)CNC4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN5O2S/c25-18-9-11-19(12-10-18)26-14-22-28-29-24(30(22)15-17-5-2-1-3-6-17)33-16-23(32)27-20-7-4-8-21(31)13-20/h1-13,26,31H,14-16H2,(H,27,32)