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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NN=CN2C3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NN=CN2C3=CC=CC=C3)C

InChI

InChI=1S/C18H20N4OS/c1-4-21-13(2)10-16(14(21)3)17(23)11-24-18-20-19-12-22(18)15-8-6-5-7-9-15/h5-10,12H,4,11H2,1-3H3