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

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C24H23N5OS/c1-4-14-28-23(19-10-12-25-13-11-19)26-27-24(28)31-16-22(30)21-15-17(2)29(18(21)3)20-8-6-5-7-9-20/h4-13,15H,1,14,16H2,2-3H3