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

Systemtic Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H27N5O2S/c1-17-14-22(19(3)29(17)18(2)15-32-4)23(31)16-33-25-28-27-24(20-10-12-26-13-11-20)30(25)21-8-6-5-7-9-21/h5-14,18H,15-16H2,1-4H3