ethyl 4-phenyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 4-phenyl-2-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3CC=C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-3-14-28-16-25-27-24(28)31-15-20-22(23(29)30-4-2)21(17-10-6-5-7-11-17)18-12-8-9-13-19(18)26-20/h3,5-13,16H,1,4,14-15H2,2H3