1-(2,3-dihydroindol-1-yl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-1-indolin-1-yl-ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]ethanone IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]-1-indolin-1-yl-ethanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=CN3CC4=CC=CC=C4)CO

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=NC(=CN3CC4=CC=CC=C4)CO

InChI

InChI=1S/C21H21N3O2S/c25-14-18-13-23(12-16-6-2-1-3-7-16)21(22-18)27-15-20(26)24-11-10-17-8-4-5-9-19(17)24/h1-9,13,25H,10-12,14-15H2