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

Systemtic Name: ethyl 4-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5)C

InChI

InChI=1S/C27H29N5O2S/c1-3-34-26(33)25-19(2)21-13-7-8-14-22(21)28-23(25)18-35-27-30-29-24(17-31-15-9-10-16-31)32(27)20-11-5-4-6-12-20/h4-8,11-14H,3,9-10,15-18H2,1-2H3