2-[[4-azanyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C18H16F3N5O2S MolecularWeight: 423.41215

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3N5O2S/c1-28-14-7-2-4-11(8-14)16-24-25-17(26(16)22)29-10-15(27)23-13-6-3-5-12(9-13)18(19,20)21/h2-9H,10,22H2,1H3,(H,23,27)