2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C29H27N5O2S MolecularWeight: 509.62198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3CC4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C(=O)C)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3CC4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)C(=O)C)C

InChI

InChI=1S/C29H27N5O2S/c1-18-19(2)30-26-14-11-23(15-25(18)26)28-32-33-29(34(28)16-21-7-5-4-6-8-21)37-17-27(36)31-24-12-9-22(10-13-24)20(3)35/h4-15,30H,16-17H2,1-3H3,(H,31,36)