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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC)C3=CC=CS3

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC)C3=CC=CS3

InChI

InChI=1S/C21H26N4OS2/c1-5-14(3)16-10-7-8-11-17(16)22-20(26)15(4)28-21-24-23-19(25(21)6-2)18-12-9-13-27-18/h7-15H,5-6H2,1-4H3,(H,22,26)