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

Systemtic Name: ethyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C)C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C)C4CC4)C

InChI

InChI=1S/C20H22N4O2S/c1-4-26-19(25)17-12(2)14-7-5-6-8-15(14)21-16(17)11-27-20-23-22-18(24(20)3)13-9-10-13/h5-8,13H,4,9-11H2,1-3H3