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

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC)C3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4OS/c1-5-12-25-15(3)13-18(16(25)4)19(26)14-27-21-23-22-20(24(21)6-2)17-10-8-7-9-11-17/h7-11,13H,5-6,12,14H2,1-4H3