N-[1-[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide

Systemtic Name: N-[1-[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Openeye Name: N-[1-[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide CAS Name: N-[1-[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide IUPAC Name: N-[1-[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide Traditional Name: N-[1-[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2)C(C(C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2)C(C(C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-4-27-21(20(17(2)3)24-22(28)18-11-7-5-8-12-18)25-26-23(27)30-16-15-29-19-13-9-6-10-14-19/h5-14,17,20H,4,15-16H2,1-3H3,(H,24,28)