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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-methyl-2-pyrrolyl)ethanone IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(1-methylpyrrol-2-yl)ethanone Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CN2C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CN2C)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4OS/c1-3-22-17(12-14-8-5-4-6-9-14)19-20-18(22)24-13-16(23)15-10-7-11-21(15)2/h4-11H,3,12-13H2,1-2H3