N-cyclopropyl-2-[[4-(2-ethylphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclopropyl-2-[[4-(2-ethylphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclopropyl-2-[[4-(2-ethylphenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclopropyl-2-[[4-(2-ethylphenyl)-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[4-(2-ethylphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclopropyl-2-[[4-(2-ethylphenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3CC3)COC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3CC3)COC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-2-17-7-3-4-10-20(17)30-22(28-29-25(30)33-16-23(31)27-19-12-13-19)15-32-21-11-5-8-18-9-6-14-26-24(18)21/h3-11,14,19H,2,12-13,15-16H2,1H3,(H,27,31)