ethyl 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H19ClN4O2S MolecularWeight: 366.86566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C16H19ClN4O2S/c1-2-23-14(22)11-24-16-19-18-15(20-8-3-4-9-20)21(16)13-7-5-6-12(17)10-13/h5-7,10H,2-4,8-9,11H2,1H3