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

Systemtic Name: ethyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-3-29-21(28)15-9-10-18-17(11-15)19(27)12-16(23-18)13-30-22-25-24-20(26(22)2)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,23,27)