2-[[5-(4-butoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-(4-butoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-butoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-benzyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C21H24N4O2S/c1-2-3-13-27-18-11-9-17(10-12-18)20-23-24-21(28-15-19(22)26)25(20)14-16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H2,22,26)