N-(4-butan-2-ylphenyl)-2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)CC3=CC=CS3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)CC3=CC=CS3

InChI

InChI=1S/C21H26N4OS2/c1-4-15(3)16-8-10-17(11-9-16)22-20(26)14-28-21-24-23-19(25(21)5-2)13-18-7-6-12-27-18/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,26)