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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H20N4O3S/c1-4-26-18(25)16-11(2)15(12(3)20-16)14(24)10-27-19-21-17(22-23-19)13-8-6-5-7-9-13/h5-9,20H,4,10H2,1-3H3,(H,21,22,23)