N-butyl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C21H26N4OS2/c1-2-3-12-22-20(26)16-28-21-24-23-19(15-18-10-7-14-27-18)25(21)13-11-17-8-5-4-6-9-17/h4-10,14H,2-3,11-13,15-16H2,1H3,(H,22,26)