2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-veratryl-acetamide Formula: C19H20FN5O3S MolecularWeight: 417.457203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)OC

InChI

InChI=1S/C19H20FN5O3S/c1-27-15-7-6-12(8-16(15)28-2)10-22-17(26)11-29-19-24-23-18(25(19)21)13-4-3-5-14(20)9-13/h3-9H,10-11,21H2,1-2H3,(H,22,26)