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

Systemtic Name: 1-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-isoxazol-3-yl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-[1-(3-isoxazolyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(1-isoxazol-3-yl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC=C2)C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=NOC=C2)C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-17-15-21(18(2)29(17)23-13-14-32-28-23)22(31)16-33-25-27-26-24(19-9-5-3-6-10-19)30(25)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3