2-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 2-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)N)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)N)C3=CC=CS3

InChI

InChI=1S/C19H22N4OS2/c1-3-4-6-14-8-10-15(11-9-14)23-18(16-7-5-12-25-16)21-22-19(23)26-13(2)17(20)24/h5,7-13H,3-4,6H2,1-2H3,(H2,20,24)