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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylbenzothiophen-2-yl)ethanone CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-benzothiophen-2-yl)ethanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(3-methylbenzothiophen-2-yl)ethanone Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(C3=CC=CC=C3S2)C)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(C3=CC=CC=C3S2)C)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS2/c1-3-25-20(13-16-9-5-4-6-10-16)23-24-22(25)27-14-18(26)21-15(2)17-11-7-8-12-19(17)28-21/h4-12H,3,13-14H2,1-2H3