N-(1-phenylbutyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=CN2CCC3=CC=CS3

InChI

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