ethyl 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 2-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-keto-1H-quinoline-6-carboxylic acid ethyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C4=CC=CO4

InChI

InChI=1S/C20H18N4O4S/c1-3-27-19(26)12-6-7-15-14(9-12)16(25)10-13(21-15)11-29-20-23-22-18(24(20)2)17-5-4-8-28-17/h4-10H,3,11H2,1-2H3,(H,21,25)