2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-3-26-20(13-16-9-5-4-6-10-16)24-25-22(26)28-14-19(27)21-15(2)23-18-12-8-7-11-17(18)21/h4-12,23H,3,13-14H2,1-2H3