methyl 2,4-dimethyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C23H27N5O3S/c1-15-19(21(30)31-3)16(2)24-20(15)18(29)14-32-23-26-25-22(27-12-8-5-9-13-27)28(23)17-10-6-4-7-11-17/h4,6-7,10-11,24H,5,8-9,12-14H2,1-3H3