N-heptan-2-yl-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-heptan-2-yl-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C26H34N4O2S MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C26H34N4O2S/c1-4-5-7-12-20(2)27-24(31)19-33-26-29-28-25(22-15-10-11-16-23(22)32-3)30(26)18-17-21-13-8-6-9-14-21/h6,8-11,13-16,20H,4-5,7,12,17-19H2,1-3H3,(H,27,31)