ethyl 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3CC=C)C4=CC=CC=C4OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3CC=C)C4=CC=CC=C4OC)C

InChI

InChI=1S/C26H26N4O3S/c1-5-15-30-24(19-12-8-10-14-22(19)32-4)28-29-26(30)34-16-21-23(25(31)33-6-2)17(3)18-11-7-9-13-20(18)27-21/h5,7-14H,1,6,15-16H2,2-4H3