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

Systemtic Name: 2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-3-5-15-29-20-13-11-19(12-14-20)22-25-26-23(27(22)4-2)30-17-21(28)24-16-18-9-7-6-8-10-18/h6-14H,3-5,15-17H2,1-2H3,(H,24,28)