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

Systemtic Name: ethyl 4-[2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NN=CN2CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NN=CN2CC3=CC=CO3)C

InChI

InChI=1S/C18H20N4O4S/c1-4-25-17(24)16-11(2)15(12(3)20-16)14(23)9-27-18-21-19-10-22(18)8-13-6-5-7-26-13/h5-7,10,20H,4,8-9H2,1-3H3