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

Systemtic Name: methyl 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

InChI=1S/C22H21N5O2S/c1-13-8-10-15(11-9-13)20-25-26-22(27(20)23)30-12-18-19(21(28)29-3)14(2)16-6-4-5-7-17(16)24-18/h4-11H,12,23H2,1-3H3