2-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-methylamino]-N-propylacetamide IUPAC Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-propylacetamide Traditional Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]-methyl-amino]-N-propyl-acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCNC(=O)CN(C)C(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H31N5O2S/c1-7-12-22-17(27)13-25(5)18(28)14-29-20-24-23-19(26(20)6)15-8-10-16(11-9-15)21(2,3)4/h8-11H,7,12-14H2,1-6H3,(H,22,27)