ethyl 7-methylsulfanyl-3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate

Systemtic Name: ethyl 7-methylsulfanyl-3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Openeye Name: ethyl 7-methylsulfanyl-3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate CAS Name: 7-(methylthio)-3-phenyl-5-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methylsulfanyl-3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate Traditional Name: 7-(methylthio)-3-phenyl-5-pyrrolidino-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid ethyl ester Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N2C1=NN=C2C3=CC=CC=C3)N4CCCC4)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N2C1=NN=C2C3=CC=CC=C3)N4CCCC4)SC

InChI

InChI=1S/C19H21N5O2S/c1-3-26-18(25)14-16-22-21-15(13-9-5-4-6-10-13)24(16)19(20-17(14)27-2)23-11-7-8-12-23/h4-6,9-10H,3,7-8,11-12H2,1-2H3