methyl 2,4-dimethyl-5-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H18N4O3S2/c1-8-12(16(23)24-4)9(2)18-13(8)14(22)10(3)26-17-19-15(20-21-17)11-6-5-7-25-11/h5-7,10,18H,1-4H3,(H,19,20,21)