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

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)C4=CC=CS4

InChI

InChI=1S/C22H22N4OS2/c1-4-25-21(20-11-8-12-28-20)23-24-22(25)29-14-19(27)18-13-15(2)26(16(18)3)17-9-6-5-7-10-17/h5-13H,4,14H2,1-3H3