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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-[3-(2,5-dimethyl-1-pyrrolyl)-4-methylphenyl]acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methylphenyl]acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methyl-phenyl]acetamide Formula: C31H33N5O2S MolecularWeight: 539.69102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4)N6C(=CC=C6C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4)N6C(=CC=C6C)C

InChI

InChI=1S/C31H33N5O2S/c1-20-13-16-24(18-26(20)35-21(2)14-15-22(35)3)32-29(37)19-39-31-34-33-30(36(31)25-10-5-4-6-11-25)28-17-23-9-7-8-12-27(23)38-28/h7-9,12-18,25H,4-6,10-11,19H2,1-3H3,(H,32,37)