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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-methyl-2-pyrrolyl)ethanone IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-methylpyrrol-2-yl)ethanone Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-3-21-16(13-8-5-4-6-9-13)18-19-17(21)23-12-15(22)14-10-7-11-20(14)2/h4-11H,3,12H2,1-2H3