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

Systemtic Name: N-(butylcarbamoyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(butylcarbamoyl)propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(butylcarbamoyl)propanamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(butylcarbamoyl)propionamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H25N5O2S2/c1-3-4-12-22-20(28)23-19(27)15(2)30-21-25-24-18(17-11-8-13-29-17)26(21)14-16-9-6-5-7-10-16/h5-11,13,15H,3-4,12,14H2,1-2H3,(H2,22,23,27,28)