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

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C19H22N4OS/c1-4-8-18-20-19(22-21-18)25-12-17(24)16-11-13(2)23(14(16)3)15-9-6-5-7-10-15/h5-7,9-11H,4,8,12H2,1-3H3,(H,20,21,22)