2-[[4-azanyl-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C20H18FN7O2S MolecularWeight: 439.466023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN7O2S/c1-30-15-4-2-3-14(9-15)23-18(29)11-31-20-27-26-19(28(20)22)17-10-16(24-25-17)12-5-7-13(21)8-6-12/h2-10H,11,22H2,1H3,(H,23,29)(H,24,25)