N-(tert-butylcarbamoyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H31N5O3S MolecularWeight: 433.56754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC(=O)NC(C)(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC(=O)NC(C)(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H31N5O3S/c1-7-8-13-26-17(15-9-11-16(29-6)12-10-15)24-25-20(26)30-14(2)18(27)22-19(28)23-21(3,4)5/h9-12,14H,7-8,13H2,1-6H3,(H2,22,23,27,28)