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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)C)C

InChI

InChI=1S/C23H22N4O3S2/c1-4-30-22(29)20-15(3)24-14(2)19(20)17(28)13-32-23-26-25-21(18-11-8-12-31-18)27(23)16-9-6-5-7-10-16/h5-12,24H,4,13H2,1-3H3