N-[3-(2,5-dimethylpyrrol-1-yl)-2-methyl-phenyl]-2-[[5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[3-(2,5-dimethylpyrrol-1-yl)-2-methyl-phenyl]-2-[[5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2,5-dimethylpyrrol-1-yl)-2-methyl-phenyl]acetamide CAS Name: N-[3-(2,5-dimethyl-1-pyrrolyl)-2-methylphenyl]-2-[[5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2,5-dimethylpyrrol-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-[3-(2,5-dimethylpyrrol-1-yl)-2-methyl-phenyl]acetamide Formula: C31H31N5O2S MolecularWeight: 537.67514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C(=CC=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)COC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C(=CC=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)COC5=CC=CC=C5)C)C

InChI

InChI=1S/C31H31N5O2S/c1-22-17-18-23(2)36(22)28-16-10-15-27(24(28)3)32-30(37)21-39-31-34-33-29(20-38-26-13-8-5-9-14-26)35(31)19-25-11-6-4-7-12-25/h4-18H,19-21H2,1-3H3,(H,32,37)