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

Systemtic Name: 1-(3-methyl-1-benzothiophen-2-yl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylbenzothiophen-2-yl)ethanone CAS Name: 1-(3-methyl-1-benzothiophen-2-yl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(3-methylbenzothiophen-2-yl)ethanone Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NN=C(N3C)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N3OS2/c1-14-16-10-6-7-11-18(16)27-20(14)17(25)13-26-21-23-22-19(24(21)2)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3